1-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-1-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidin-2-one;2,2-dimethyl-1-(3-methylbutyl)piperidine;3,3-dimethyl-1-(4-methylphenyl)butan-1-ol;3,3-dimethyl-1-phenylbutan-1-ol;3,3-dimethyl-1-pyridin-2-ylbutan-1-ol;4,4-dimethyl-2-pyrimidin-4-ylpentan-2-ol;3,3-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol;1-(2-fluorophenyl)-3,3-dimethylbutan-1-ol;2-(4-fluorophenyl)-4,4-dimethylpentan-2-ol;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;2,5,5-trimethyl-3-pyridin-4-ylhexan-3-ol

C196H341F5N12O13S2 — CID 159151525

About 1-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-1-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidin-2-one;2,2-dimethyl-1-(3-methylbutyl)piperidine;3,3-dimethyl-1-(4-methylphenyl)butan-1-ol;3,3-dimethyl-1-phenylbutan-1-ol;3,3-dimethyl-1-pyridin-2-ylbutan-1-ol;4,4-dimethyl-2-pyrimidin-4-ylpentan-2-ol;3,3-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol;1-(2-fluorophenyl)-3,3-dimethylbutan-1-ol;2-(4-fluorophenyl)-4,4-dimethylpentan-2-ol;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;2,5,5-trimethyl-3-pyridin-4-ylhexan-3-ol

1-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-1-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidin-2-one;2,2-dimethyl-1-(3-methylbutyl)piperidine;3,3-dimethyl-1-(4-methylphenyl)butan-1-ol;3,3-dimethyl-1-phenylbutan-1-ol;3,3-dimethyl-1-pyridin-2-ylbutan-1-ol;4,4-dimethyl-2-pyrimidin-4-ylpentan-2-ol;3,3-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol;1-(2-fluorophenyl)-3,3-dimethylbutan-1-ol;2-(4-fluorophenyl)-4,4-dimethylpentan-2-ol;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;2,5,5-trimethyl-3-pyridin-4-ylhexan-3-ol (PubChem CID 159151525) has the molecular formula C196H341F5N12O13S2 and a molecular weight of 3233.08 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-1-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidin-2-one;2,2-dimethyl-1-(3-methylbutyl)piperidine;3,3-dimethyl-1-(4-methylphenyl)butan-1-ol;3,3-dimethyl-1-phenylbutan-1-ol;3,3-dimethyl-1-pyridin-2-ylbutan-1-ol;4,4-dimethyl-2-pyrimidin-4-ylpentan-2-ol;3,3-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol;1-(2-fluorophenyl)-3,3-dimethylbutan-1-ol;2-(4-fluorophenyl)-4,4-dimethylpentan-2-ol;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;2,5,5-trimethyl-3-pyridin-4-ylhexan-3-ol.

Molecular Properties

• Compound Name: 1-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-1-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidin-2-one;2,2-dimethyl-1-(3-methylbutyl)piperidine;3,3-dimethyl-1-(4-methylphenyl)butan-1-ol;3,3-dimethyl-1-phenylbutan-1-ol;3,3-dimethyl-1-pyridin-2-ylbutan-1-ol;4,4-dimethyl-2-pyrimidin-4-ylpentan-2-ol;3,3-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol;1-(2-fluorophenyl)-3,3-dimethylbutan-1-ol;2-(4-fluorophenyl)-4,4-dimethylpentan-2-ol;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;2,5,5-trimethyl-3-pyridin-4-ylhexan-3-ol
• PubChem CID: 159151525
• Molecular Formula: C196H341F5N12O13S2
• Molecular Weight: 3233.08 g/mol
• Exact Mass: 3230.58
• IUPAC Name: 1-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-1-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidin-2-one;2,2-dimethyl-1-(3-methylbutyl)piperidine;3,3-dimethyl-1-(4-methylphenyl)butan-1-ol;3,3-dimethyl-1-phenylbutan-1-ol;3,3-dimethyl-1-pyridin-2-ylbutan-1-ol;4,4-dimethyl-2-pyrimidin-4-ylpentan-2-ol;3,3-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol;1-(2-fluorophenyl)-3,3-dimethylbutan-1-ol;2-(4-fluorophenyl)-4,4-dimethylpentan-2-ol;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;2,5,5-trimethyl-3-pyridin-4-ylhexan-3-ol
• SMILES: C=C(CCC(C)C)N1CCS(=O)CC1.CC(C)(C)CC(C)(O)c1ccc(F)cc1.CC(C)(C)CC(C)(O)c1ccncn1.CC(C)(C)CC(O)c1ccc(C(F)(F)F)nc1.CC(C)(C)CC(O)c1ccccc1.CC(C)(C)CC(O)c1ccccc1F.CC(C)(C)CC(O)c1ccccn1.CC(C)(C)CCN1CCCCC1=O.CC(C)C(O)(CC(C)(C)C)c1ccncc1.CC(C)CCC1CCCC1.CC(C)CCC1CCCCC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1(C)C.CC(C)CCN1CCSCC1.CN1CCN(CCC(C)(C)C)CC1.COc1ccc(C(O)CC(C)(C)C)cc1OC.Cc1ccc(C(O)CC(C)(C)C)cc1
• InChI: InChI=1S/C14H23NO.C14H22O3.C13H19FO.C13H20O.C12H16F3NO.C12H17FO.C12H25N.C12H18O.C11H18N2O.C11H24N2.C11H21NOS.C11H21NO.C11H17NO.C11H22.C10H20.C9H19NS.C9H19N/c1-11(2)14(16,10-13(3,4)5)12-6-8-15-9-7-12;1-14(2,3)9-11(15)10-6-7-12(16-4)13(8-10)17-5;1-12(2,3)9-13(4,15)10-5-7-11(14)8-6-10;1-10-5-7-11(8-6-10)12(14)9-13(2,3)4;1-11(2,3)6-9(17)8-4-5-10(16-7-8)12(13,14)15;1-12(2,3)8-11(14)9-6-4-5-7-10(9)13;1-11(2)7-10-13-9-6-5-8-12(13,3)4;1-12(2,3)9-11(13)10-7-5-4-6-8-10;1-10(2,3)7-11(4,14)9-5-6-12-8-13-9;1-11(2,3)5-6-13-9-7-12(4)8-10-13;1-10(2)4-5-11(3)12-6-8-14(13)9-7-12;1-11(2,3)7-9-12-8-5-4-6-10(12)13;1-11(2,3)8-10(13)9-6-4-5-7-12-9;1-10(2)8-9-11-6-4-3-5-7-11;1-9(2)7-8-10-5-3-4-6-10;1-9(2)3-4-10-5-7-11-8-6-10;1-9(2)5-8-10-6-3-4-7-10/h6-9,11,16H,10H2,1-5H3;6-8,11,15H,9H2,1-5H3;5-8,15H,9H2,1-4H3;5-8,12,14H,9H2,1-4H3;4-5,7,9,17H,6H2,1-3H3;4-7,11,14H,8H2,1-3H3;11H,5-10H2,1-4H3;4-8,11,13H,9H2,1-3H3;5-6,8,14H,7H2,1-4H3;5-10H2,1-4H3;10H,3-9H2,1-2H3;4-9H2,1-3H3;4-7,10,13H,8H2,1-3H3;10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3;9H,3-8H2,1-2H3
• InChIKey: KJIVRTSPTUKWMD-UHFFFAOYSA-N
• XLogP: 49.39
• TPSA: 321.80 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 44
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3233.08
LogP ≤ 5	49.39
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-1-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidin-2-one;2,2-dimethyl-1-(3-methylbutyl)piperidine;3,3-dimethyl-1-(4-methylphenyl)butan-1-ol;3,3-dimethyl-1-phenylbutan-1-ol;3,3-dimethyl-1-pyridin-2-ylbutan-1-ol;4,4-dimethyl-2-pyrimidin-4-ylpentan-2-ol;3,3-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol;1-(2-fluorophenyl)-3,3-dimethylbutan-1-ol;2-(4-fluorophenyl)-4,4-dimethylpentan-2-ol;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;2,5,5-trimethyl-3-pyridin-4-ylhexan-3-ol?

The IUPAC name of 1-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-1-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidin-2-one;2,2-dimethyl-1-(3-methylbutyl)piperidine;3,3-dimethyl-1-(4-methylphenyl)butan-1-ol;3,3-dimethyl-1-phenylbutan-1-ol;3,3-dimethyl-1-pyridin-2-ylbutan-1-ol;4,4-dimethyl-2-pyrimidin-4-ylpentan-2-ol;3,3-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol;1-(2-fluorophenyl)-3,3-dimethylbutan-1-ol;2-(4-fluorophenyl)-4,4-dimethylpentan-2-ol;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;2,5,5-trimethyl-3-pyridin-4-ylhexan-3-ol (CID 159151525) is 1-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-1-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidin-2-one;2,2-dimethyl-1-(3-methylbutyl)piperidine;3,3-dimethyl-1-(4-methylphenyl)butan-1-ol;3,3-dimethyl-1-phenylbutan-1-ol;3,3-dimethyl-1-pyridin-2-ylbutan-1-ol;4,4-dimethyl-2-pyrimidin-4-ylpentan-2-ol;3,3-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol;1-(2-fluorophenyl)-3,3-dimethylbutan-1-ol;2-(4-fluorophenyl)-4,4-dimethylpentan-2-ol;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;2,5,5-trimethyl-3-pyridin-4-ylhexan-3-ol.

What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-1-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidin-2-one;2,2-dimethyl-1-(3-methylbutyl)piperidine;3,3-dimethyl-1-(4-methylphenyl)butan-1-ol;3,3-dimethyl-1-phenylbutan-1-ol;3,3-dimethyl-1-pyridin-2-ylbutan-1-ol;4,4-dimethyl-2-pyrimidin-4-ylpentan-2-ol;3,3-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol;1-(2-fluorophenyl)-3,3-dimethylbutan-1-ol;2-(4-fluorophenyl)-4,4-dimethylpentan-2-ol;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;2,5,5-trimethyl-3-pyridin-4-ylhexan-3-ol?

The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-1-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidin-2-one;2,2-dimethyl-1-(3-methylbutyl)piperidine;3,3-dimethyl-1-(4-methylphenyl)butan-1-ol;3,3-dimethyl-1-phenylbutan-1-ol;3,3-dimethyl-1-pyridin-2-ylbutan-1-ol;4,4-dimethyl-2-pyrimidin-4-ylpentan-2-ol;3,3-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol;1-(2-fluorophenyl)-3,3-dimethylbutan-1-ol;2-(4-fluorophenyl)-4,4-dimethylpentan-2-ol;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;2,5,5-trimethyl-3-pyridin-4-ylhexan-3-ol is C=C(CCC(C)C)N1CCS(=O)CC1.CC(C)(C)CC(C)(O)c1ccc(F)cc1.CC(C)(C)CC(C)(O)c1ccncn1.CC(C)(C)CC(O)c1ccc(C(F)(F)F)nc1.CC(C)(C)CC(O)c1ccccc1.CC(C)(C)CC(O)c1ccccc1F.CC(C)(C)CC(O)c1ccccn1.CC(C)(C)CCN1CCCCC1=O.CC(C)C(O)(CC(C)(C)C)c1ccncc1.CC(C)CCC1CCCC1.CC(C)CCC1CCCCC1.CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1(C)C.CC(C)CCN1CCSCC1.CN1CCN(CCC(C)(C)C)CC1.COc1ccc(C(O)CC(C)(C)C)cc1OC.Cc1ccc(C(O)CC(C)(C)C)cc1.

What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-1-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidin-2-one;2,2-dimethyl-1-(3-methylbutyl)piperidine;3,3-dimethyl-1-(4-methylphenyl)butan-1-ol;3,3-dimethyl-1-phenylbutan-1-ol;3,3-dimethyl-1-pyridin-2-ylbutan-1-ol;4,4-dimethyl-2-pyrimidin-4-ylpentan-2-ol;3,3-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol;1-(2-fluorophenyl)-3,3-dimethylbutan-1-ol;2-(4-fluorophenyl)-4,4-dimethylpentan-2-ol;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;2,5,5-trimethyl-3-pyridin-4-ylhexan-3-ol?

The InChIKey is KJIVRTSPTUKWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.C14H22O3.C13H19FO.C13H20O.C12H16F3NO.C12H17FO.C12H25N.C12H18O.C11H18N2O.C11H24N2.C11H21NOS.C11H21NO.C11H17NO.C11H22.C10H20.C9H19NS.C9H19N/c1-11(2)14(16,10-13(3,4)5)12-6-8-15-9-7-12;1-14(2,3)9-11(15)10-6-7-12(16-4)13(8-10)17-5;1-12(2,3)9-13(4,15)10-5-7-11(14)8-6-10;1-10-5-7-11(8-6-10)12(14)9-13(2,3)4;1-11(2,3)6-9(17)8-4-5-10(16-7-8)12(13,14)15;1-12(2,3)8-11(14)9-6-4-5-7-10(9)13;1-11(2)7-10-13-9-6-5-8-12(13,3)4;1-12(2,3)9-11(13)10-7-5-4-6-8-10;1-10(2,3)7-11(4,14)9-5-6-12-8-13-9;1-11(2,3)5-6-13-9-7-12(4)8-10-13;1-10(2)4-5-11(3)12-6-8-14(13)9-7-12;1-11(2,3)7-9-12-8-5-4-6-10(12)13;1-11(2,3)8-10(13)9-6-4-5-7-12-9;1-10(2)8-9-11-6-4-3-5-7-11;1-9(2)7-8-10-5-3-4-6-10;1-9(2)3-4-10-5-7-11-8-6-10;1-9(2)5-8-10-6-3-4-7-10/h6-9,11,16H,10H2,1-5H3;6-8,11,15H,9H2,1-5H3;5-8,15H,9H2,1-4H3;5-8,12,14H,9H2,1-4H3;4-5,7,9,17H,6H2,1-3H3;4-7,11,14H,8H2,1-3H3;11H,5-10H2,1-4H3;4-8,11,13H,9H2,1-3H3;5-6,8,14H,7H2,1-4H3;5-10H2,1-4H3;10H,3-9H2,1-2H3;4-9H2,1-3H3;4-7,10,13H,8H2,1-3H3;10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3;9H,3-8H2,1-2H3.

What are the key properties of 1-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-1-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidin-2-one;2,2-dimethyl-1-(3-methylbutyl)piperidine;3,3-dimethyl-1-(4-methylphenyl)butan-1-ol;3,3-dimethyl-1-phenylbutan-1-ol;3,3-dimethyl-1-pyridin-2-ylbutan-1-ol;4,4-dimethyl-2-pyrimidin-4-ylpentan-2-ol;3,3-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol;1-(2-fluorophenyl)-3,3-dimethylbutan-1-ol;2-(4-fluorophenyl)-4,4-dimethylpentan-2-ol;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;2,5,5-trimethyl-3-pyridin-4-ylhexan-3-ol?

1-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-1-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidin-2-one;2,2-dimethyl-1-(3-methylbutyl)piperidine;3,3-dimethyl-1-(4-methylphenyl)butan-1-ol;3,3-dimethyl-1-phenylbutan-1-ol;3,3-dimethyl-1-pyridin-2-ylbutan-1-ol;4,4-dimethyl-2-pyrimidin-4-ylpentan-2-ol;3,3-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol;1-(2-fluorophenyl)-3,3-dimethylbutan-1-ol;2-(4-fluorophenyl)-4,4-dimethylpentan-2-ol;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;2,5,5-trimethyl-3-pyridin-4-ylhexan-3-ol has a molecular weight of 3233.08 g/mol, XLogP of 49.39, 44 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-1-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidin-2-one;2,2-dimethyl-1-(3-methylbutyl)piperidine;3,3-dimethyl-1-(4-methylphenyl)butan-1-ol;3,3-dimethyl-1-phenylbutan-1-ol;3,3-dimethyl-1-pyridin-2-ylbutan-1-ol;4,4-dimethyl-2-pyrimidin-4-ylpentan-2-ol;3,3-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]butan-1-ol;1-(2-fluorophenyl)-3,3-dimethylbutan-1-ol;2-(4-fluorophenyl)-4,4-dimethylpentan-2-ol;3-methylbutylcyclohexane;3-methylbutylcyclopentane;1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)thiomorpholine;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;2,5,5-trimethyl-3-pyridin-4-ylhexan-3-ol is sourced from PubChem (CID 159151525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).