1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol

C163H242N2O16S2 — CID 159675690

IUPAC1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol
SMILESCCCCC(O)(CCCC)CCc1cccc(OCCC)c1.CCCOc1cccc(CCC(C)(C)O)c1.CCCOc1cccc(CCC(O)(C(C)C)C(C)C)c1.CCCOc1cccc(CCC(O)(CC)CC)c1.CCCOc1cccc(CCC2(O)CCSCC2)c1.CCCOc1cccc(CCCC2CCCC2)c1.CCCOc1cccc(CCCCCCO)c1.CCCOc1cccc(CCc2ccccn2)c1.CCCOc1cccc(CCc2cccnc2)c1.CCCOc1cccc(CCc2cccs2)c1
InChIInChI=1S/C20H34O2.C18H30O2.C17H26O.2C16H19NO.C16H24O2S.C16H26O2.C15H24O2.C15H18OS.C14H22O2/c1-4-7-13-20(21,14-8-5-2)15-12-18-10-9-11-19(17-18)22-16-6-3;1-6-12-20-17-9-7-8-16(13-17)10-11-18(19,14(2)3)15(4)5;1-2-13-18-17-12-6-11-16(14-17)10-5-9-15-7-3-4-8-15;1-2-11-18-16-7-3-5-14(12-16)8-9-15-6-4-10-17-13-15;1-2-12-18-16-8-5-6-14(13-16)9-10-15-7-3-4-11-17-15;1-2-10-18-15-5-3-4-14(13-15)6-7-16(17)8-11-19-12-9-16;1-4-12-18-15-9-7-8-14(13-15)10-11-16(17,5-2)6-3;1-2-12-17-15-10-7-9-14(13-15)8-5-3-4-6-11-16;1-2-10-16-14-6-3-5-13(12-14)8-9-15-7-4-11-17-15;1-4-10-16-13-7-5-6-12(11-13)8-9-14(2,3)15/h9-11,17,21H,4-8,12-16H2,1-3H3;7-9,13-15,19H,6,10-12H2,1-5H3;6,11-12,14-15H,2-5,7-10,13H2,1H3;3-7,10,12-13H,2,8-9,11H2,1H3;3-8,11,13H,2,9-10,12H2,1H3;3-5,13,17H,2,6-12H2,1H3;7-9,13,17H,4-6,10-12H2,1-3H3;7,9-10,13,16H,2-6,8,11-12H2,1H3;3-7,11-12H,2,8-10H2,1H3;5-7,11,15H,4,8-10H2,1-3H3
InChIKeyMUOKVMHBIMNBJC-UHFFFAOYSA-N
MW2549.86 g/mol
LogP40.97
Rot. Bonds74

About 1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol

1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol (PubChem CID 159675690) has the molecular formula C163H242N2O16S2 and a molecular weight of 2549.86 g/mol. Its IUPAC name is 1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol.

Molecular Properties

Compound Name1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol
PubChem CID159675690
Molecular FormulaC163H242N2O16S2
Molecular Weight2549.86 g/mol
Exact Mass2547.76
IUPAC Name1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol
SMILESCCCCC(O)(CCCC)CCc1cccc(OCCC)c1.CCCOc1cccc(CCC(C)(C)O)c1.CCCOc1cccc(CCC(O)(C(C)C)C(C)C)c1.CCCOc1cccc(CCC(O)(CC)CC)c1.CCCOc1cccc(CCC2(O)CCSCC2)c1.CCCOc1cccc(CCCC2CCCC2)c1.CCCOc1cccc(CCCCCCO)c1.CCCOc1cccc(CCc2ccccn2)c1.CCCOc1cccc(CCc2cccnc2)c1.CCCOc1cccc(CCc2cccs2)c1
InChIInChI=1S/C20H34O2.C18H30O2.C17H26O.2C16H19NO.C16H24O2S.C16H26O2.C15H24O2.C15H18OS.C14H22O2/c1-4-7-13-20(21,14-8-5-2)15-12-18-10-9-11-19(17-18)22-16-6-3;1-6-12-20-17-9-7-8-16(13-17)10-11-18(19,14(2)3)15(4)5;1-2-13-18-17-12-6-11-16(14-17)10-5-9-15-7-3-4-8-15;1-2-11-18-16-7-3-5-14(12-16)8-9-15-6-4-10-17-13-15;1-2-12-18-16-8-5-6-14(13-16)9-10-15-7-3-4-11-17-15;1-2-10-18-15-5-3-4-14(13-15)6-7-16(17)8-11-19-12-9-16;1-4-12-18-15-9-7-8-14(13-15)10-11-16(17,5-2)6-3;1-2-12-17-15-10-7-9-14(13-15)8-5-3-4-6-11-16;1-2-10-16-14-6-3-5-13(12-14)8-9-15-7-4-11-17-15;1-4-10-16-13-7-5-6-12(11-13)8-9-14(2,3)15/h9-11,17,21H,4-8,12-16H2,1-3H3;7-9,13-15,19H,6,10-12H2,1-5H3;6,11-12,14-15H,2-5,7-10,13H2,1H3;3-7,10,12-13H,2,8-9,11H2,1H3;3-8,11,13H,2,9-10,12H2,1H3;3-5,13,17H,2,6-12H2,1H3;7-9,13,17H,4-6,10-12H2,1-3H3;7,9-10,13,16H,2-6,8,11-12H2,1H3;3-7,11-12H,2,8-10H2,1H3;5-7,11,15H,4,8-10H2,1-3H3
InChIKeyMUOKVMHBIMNBJC-UHFFFAOYSA-N
XLogP40.97
TPSA239.46 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds74
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002549.86
LogP ≤ 540.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol?
The IUPAC name of 1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol (CID 159675690) is 1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol.
What is the SMILES notation for 1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol?
The canonical SMILES for 1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol is CCCCC(O)(CCCC)CCc1cccc(OCCC)c1.CCCOc1cccc(CCC(C)(C)O)c1.CCCOc1cccc(CCC(O)(C(C)C)C(C)C)c1.CCCOc1cccc(CCC(O)(CC)CC)c1.CCCOc1cccc(CCC2(O)CCSCC2)c1.CCCOc1cccc(CCCC2CCCC2)c1.CCCOc1cccc(CCCCCCO)c1.CCCOc1cccc(CCc2ccccn2)c1.CCCOc1cccc(CCc2cccnc2)c1.CCCOc1cccc(CCc2cccs2)c1.
What is the InChIKey of 1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol?
The InChIKey is MUOKVMHBIMNBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2.C18H30O2.C17H26O.2C16H19NO.C16H24O2S.C16H26O2.C15H24O2.C15H18OS.C14H22O2/c1-4-7-13-20(21,14-8-5-2)15-12-18-10-9-11-19(17-18)22-16-6-3;1-6-12-20-17-9-7-8-16(13-17)10-11-18(19,14(2)3)15(4)5;1-2-13-18-17-12-6-11-16(14-17)10-5-9-15-7-3-4-8-15;1-2-11-18-16-7-3-5-14(12-16)8-9-15-6-4-10-17-13-15;1-2-12-18-16-8-5-6-14(13-16)9-10-15-7-3-4-11-17-15;1-2-10-18-15-5-3-4-14(13-15)6-7-16(17)8-11-19-12-9-16;1-4-12-18-15-9-7-8-14(13-15)10-11-16(17,5-2)6-3;1-2-12-17-15-10-7-9-14(13-15)8-5-3-4-6-11-16;1-2-10-16-14-6-3-5-13(12-14)8-9-15-7-4-11-17-15;1-4-10-16-13-7-5-6-12(11-13)8-9-14(2,3)15/h9-11,17,21H,4-8,12-16H2,1-3H3;7-9,13-15,19H,6,10-12H2,1-5H3;6,11-12,14-15H,2-5,7-10,13H2,1H3;3-7,10,12-13H,2,8-9,11H2,1H3;3-8,11,13H,2,9-10,12H2,1H3;3-5,13,17H,2,6-12H2,1H3;7-9,13,17H,4-6,10-12H2,1-3H3;7,9-10,13,16H,2-6,8,11-12H2,1H3;3-7,11-12H,2,8-10H2,1H3;5-7,11,15H,4,8-10H2,1-3H3.
What are the key properties of 1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol?
1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol has a molecular weight of 2549.86 g/mol, XLogP of 40.97, 74 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol is sourced from PubChem (CID 159675690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).