3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-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

C147H214N2O15S2 — CID 158975540

IUPAC3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-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
SMILESCCCOc1cccc(CCC(O)(CC)CC)c1.CCCOc1cccc(CCC(O)(CCC)CCC)c1.CCCOc1cccc(CCC2(O)CCCCC2)c1.CCCOc1cccc(CCC2(O)CCCCCC2)c1.CCCOc1cccc(CCC2(O)CCSCC2)c1.CCCOc1cccc(CCCCCCO)c1.CCCOc1cccc(CCc2ccccn2)c1.CCCOc1cccc(CCc2cccnc2)c1.CCCOc1cccc(CCc2cccs2)c1
InChIInChI=1S/C18H28O2.C18H30O2.C17H26O2.2C16H19NO.C16H24O2S.C16H26O2.C15H24O2.C15H18OS/c1-2-14-20-17-9-7-8-16(15-17)10-13-18(19)11-5-3-4-6-12-18;1-4-11-18(19,12-5-2)13-10-16-8-7-9-17(15-16)20-14-6-3;1-2-13-19-16-8-6-7-15(14-16)9-12-17(18)10-4-3-5-11-17;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/h7-9,15,19H,2-6,10-14H2,1H3;7-9,15,19H,4-6,10-14H2,1-3H3;6-8,14,18H,2-5,9-13H2,1H3;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
InChIKeyJOIQRYPFLVNZIL-UHFFFAOYSA-N
MW2313.46 g/mol
LogP36.16
Rot. Bonds63

About 3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-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

3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-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 158975540) has the molecular formula C147H214N2O15S2 and a molecular weight of 2313.46 g/mol. Its IUPAC name is 3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-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 Name3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-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 CID158975540
Molecular FormulaC147H214N2O15S2
Molecular Weight2313.46 g/mol
Exact Mass2311.55
IUPAC Name3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-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
SMILESCCCOc1cccc(CCC(O)(CC)CC)c1.CCCOc1cccc(CCC(O)(CCC)CCC)c1.CCCOc1cccc(CCC2(O)CCCCC2)c1.CCCOc1cccc(CCC2(O)CCCCCC2)c1.CCCOc1cccc(CCC2(O)CCSCC2)c1.CCCOc1cccc(CCCCCCO)c1.CCCOc1cccc(CCc2ccccn2)c1.CCCOc1cccc(CCc2cccnc2)c1.CCCOc1cccc(CCc2cccs2)c1
InChIInChI=1S/C18H28O2.C18H30O2.C17H26O2.2C16H19NO.C16H24O2S.C16H26O2.C15H24O2.C15H18OS/c1-2-14-20-17-9-7-8-16(15-17)10-13-18(19)11-5-3-4-6-12-18;1-4-11-18(19,12-5-2)13-10-16-8-7-9-17(15-16)20-14-6-3;1-2-13-19-16-8-6-7-15(14-16)9-12-17(18)10-4-3-5-11-17;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/h7-9,15,19H,2-6,10-14H2,1H3;7-9,15,19H,4-6,10-14H2,1-3H3;6-8,14,18H,2-5,9-13H2,1H3;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
InChIKeyJOIQRYPFLVNZIL-UHFFFAOYSA-N
XLogP36.16
TPSA230.23 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds63
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002313.46
LogP ≤ 536.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-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 3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-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 158975540) is 3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-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 3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-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 3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-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 CCCOc1cccc(CCC(O)(CC)CC)c1.CCCOc1cccc(CCC(O)(CCC)CCC)c1.CCCOc1cccc(CCC2(O)CCCCC2)c1.CCCOc1cccc(CCC2(O)CCCCCC2)c1.CCCOc1cccc(CCC2(O)CCSCC2)c1.CCCOc1cccc(CCCCCCO)c1.CCCOc1cccc(CCc2ccccn2)c1.CCCOc1cccc(CCc2cccnc2)c1.CCCOc1cccc(CCc2cccs2)c1.
What is the InChIKey of 3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-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 JOIQRYPFLVNZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2.C18H30O2.C17H26O2.2C16H19NO.C16H24O2S.C16H26O2.C15H24O2.C15H18OS/c1-2-14-20-17-9-7-8-16(15-17)10-13-18(19)11-5-3-4-6-12-18;1-4-11-18(19,12-5-2)13-10-16-8-7-9-17(15-16)20-14-6-3;1-2-13-19-16-8-6-7-15(14-16)9-12-17(18)10-4-3-5-11-17;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/h7-9,15,19H,2-6,10-14H2,1H3;7-9,15,19H,4-6,10-14H2,1-3H3;6-8,14,18H,2-5,9-13H2,1H3;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.
What are the key properties of 3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-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?
3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-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 2313.46 g/mol, XLogP of 36.16, 63 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-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 158975540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).