1-[2-[3-[(E)-but-1-enyl]phenyl]ethyl]cyclohexan-1-ol;2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;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;6-(3-propoxyphenyl)hexan-1-ol

C187H274N2O16S — CID 158657258

About 1-[2-[3-[(E)-but-1-enyl]phenyl]ethyl]cyclohexan-1-ol;2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;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;6-(3-propoxyphenyl)hexan-1-ol

1-[2-[3-[(E)-but-1-enyl]phenyl]ethyl]cyclohexan-1-ol;2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;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;6-(3-propoxyphenyl)hexan-1-ol (PubChem CID 158657258) has the molecular formula C187H274N2O16S and a molecular weight of 2838.31 g/mol. Its IUPAC name is 1-[2-[3-[(E)-but-1-enyl]phenyl]ethyl]cyclohexan-1-ol;2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;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;6-(3-propoxyphenyl)hexan-1-ol.

Molecular Properties

• Compound Name: 1-[2-[3-[(E)-but-1-enyl]phenyl]ethyl]cyclohexan-1-ol;2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;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;6-(3-propoxyphenyl)hexan-1-ol
• PubChem CID: 158657258
• Molecular Formula: C187H274N2O16S
• Molecular Weight: 2838.31 g/mol
• Exact Mass: 2836.04
• IUPAC Name: 1-[2-[3-[(E)-but-1-enyl]phenyl]ethyl]cyclohexan-1-ol;2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;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;6-(3-propoxyphenyl)hexan-1-ol
• SMILES: CC/C=C/c1cccc(CCC2(O)CCCCC2)c1.CCC#Cc1cccc(CCC2(O)CCCCC2)c1.CCCCc1cccc(CCC2CCCCC2O)c1.CCCOc1cccc(CCC(O)(CCC)CCC)c1.CCCOc1cccc(CCC2(O)CCCCC2)c1.CCCOc1cccc(CCC2(O)CCCCCC2)c1.CCCOc1cccc(CCC2(O)CCSCC2)c1.CCCOc1cccc(CCCC2CCCC2)c1.CCCOc1cccc(CCCCCCO)c1.CCCOc1cccc(CCc2ccccn2)c1.CCCOc1cccc(CCc2cccnc2)c1
• InChI: InChI=1S/C18H28O2.C18H30O2.C18H28O.C18H26O.C18H24O.C17H26O2.C17H26O.2C16H19NO.C16H24O2S.C15H24O2/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;1-2-3-7-15-8-6-9-16(14-15)12-13-17-10-4-5-11-18(17)19;2*1-2-3-8-16-9-7-10-17(15-16)11-14-18(19)12-5-4-6-13-18;1-2-13-19-16-8-6-7-15(14-16)9-12-17(18)10-4-3-5-11-17;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;1-2-12-17-15-10-7-9-14(13-15)8-5-3-4-6-11-16/h7-9,15,19H,2-6,10-14H2,1H3;7-9,15,19H,4-6,10-14H2,1-3H3;6,8-9,14,17-19H,2-5,7,10-13H2,1H3;3,7-10,15,19H,2,4-6,11-14H2,1H3;7,9-10,15,19H,2,4-6,11-14H2,1H3;6-8,14,18H,2-5,9-13H2,1H3;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;7,9-10,13,16H,2-6,8,11-12H2,1H3/b;;;8-3+
• InChIKey: ICHJQMHRZYPMGR-MJINEQLOSA-N
• XLogP: 46.20
• TPSA: 261.46 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 70
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2838.31
LogP ≤ 5	46.20
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(E)-but-1-enyl]phenyl]ethyl]cyclohexan-1-ol;2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;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;6-(3-propoxyphenyl)hexan-1-ol?

The IUPAC name of 1-[2-[3-[(E)-but-1-enyl]phenyl]ethyl]cyclohexan-1-ol;2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;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;6-(3-propoxyphenyl)hexan-1-ol (CID 158657258) is 1-[2-[3-[(E)-but-1-enyl]phenyl]ethyl]cyclohexan-1-ol;2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;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;6-(3-propoxyphenyl)hexan-1-ol.

What is the SMILES notation for 1-[2-[3-[(E)-but-1-enyl]phenyl]ethyl]cyclohexan-1-ol;2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;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;6-(3-propoxyphenyl)hexan-1-ol?

The canonical SMILES for 1-[2-[3-[(E)-but-1-enyl]phenyl]ethyl]cyclohexan-1-ol;2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;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;6-(3-propoxyphenyl)hexan-1-ol is CC/C=C/c1cccc(CCC2(O)CCCCC2)c1.CCC#Cc1cccc(CCC2(O)CCCCC2)c1.CCCCc1cccc(CCC2CCCCC2O)c1.CCCOc1cccc(CCC(O)(CCC)CCC)c1.CCCOc1cccc(CCC2(O)CCCCC2)c1.CCCOc1cccc(CCC2(O)CCCCCC2)c1.CCCOc1cccc(CCC2(O)CCSCC2)c1.CCCOc1cccc(CCCC2CCCC2)c1.CCCOc1cccc(CCCCCCO)c1.CCCOc1cccc(CCc2ccccn2)c1.CCCOc1cccc(CCc2cccnc2)c1.

What is the InChIKey of 1-[2-[3-[(E)-but-1-enyl]phenyl]ethyl]cyclohexan-1-ol;2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;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;6-(3-propoxyphenyl)hexan-1-ol?

The InChIKey is ICHJQMHRZYPMGR-MJINEQLOSA-N. The full InChI is InChI=1S/C18H28O2.C18H30O2.C18H28O.C18H26O.C18H24O.C17H26O2.C17H26O.2C16H19NO.C16H24O2S.C15H24O2/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;1-2-3-7-15-8-6-9-16(14-15)12-13-17-10-4-5-11-18(17)19;2*1-2-3-8-16-9-7-10-17(15-16)11-14-18(19)12-5-4-6-13-18;1-2-13-19-16-8-6-7-15(14-16)9-12-17(18)10-4-3-5-11-17;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;1-2-12-17-15-10-7-9-14(13-15)8-5-3-4-6-11-16/h7-9,15,19H,2-6,10-14H2,1H3;7-9,15,19H,4-6,10-14H2,1-3H3;6,8-9,14,17-19H,2-5,7,10-13H2,1H3;3,7-10,15,19H,2,4-6,11-14H2,1H3;7,9-10,15,19H,2,4-6,11-14H2,1H3;6-8,14,18H,2-5,9-13H2,1H3;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;7,9-10,13,16H,2-6,8,11-12H2,1H3/b;;;8-3+;;;;;;;.

What are the key properties of 1-[2-[3-[(E)-but-1-enyl]phenyl]ethyl]cyclohexan-1-ol;2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;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;6-(3-propoxyphenyl)hexan-1-ol?

1-[2-[3-[(E)-but-1-enyl]phenyl]ethyl]cyclohexan-1-ol;2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;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;6-(3-propoxyphenyl)hexan-1-ol has a molecular weight of 2838.31 g/mol, XLogP of 46.20, 70 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-[(E)-but-1-enyl]phenyl]ethyl]cyclohexan-1-ol;2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;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;6-(3-propoxyphenyl)hexan-1-ol is sourced from PubChem (CID 158657258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).