1-(3-butylphenyl)-2-cyclohexylethanone;2-(3-butylphenyl)-1-cyclohexylethanone;2-(3-butylphenyl)ethylcycloheptane;1-[3-(2-cycloheptylethyl)phenyl]butan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclohexan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclopentan-1-ol;(1R,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1R,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol

C181H278O19 — CID 161371653

About 1-(3-butylphenyl)-2-cyclohexylethanone;2-(3-butylphenyl)-1-cyclohexylethanone;2-(3-butylphenyl)ethylcycloheptane;1-[3-(2-cycloheptylethyl)phenyl]butan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclohexan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclopentan-1-ol;(1R,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1R,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol

1-(3-butylphenyl)-2-cyclohexylethanone;2-(3-butylphenyl)-1-cyclohexylethanone;2-(3-butylphenyl)ethylcycloheptane;1-[3-(2-cycloheptylethyl)phenyl]butan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclohexan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclopentan-1-ol;(1R,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1R,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol (PubChem CID 161371653) has the molecular formula C181H278O19 and a molecular weight of 2758.20 g/mol. Its IUPAC name is 1-(3-butylphenyl)-2-cyclohexylethanone;2-(3-butylphenyl)-1-cyclohexylethanone;2-(3-butylphenyl)ethylcycloheptane;1-[3-(2-cycloheptylethyl)phenyl]butan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclohexan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclopentan-1-ol;(1R,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1R,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol.

Molecular Properties

• Compound Name: 1-(3-butylphenyl)-2-cyclohexylethanone;2-(3-butylphenyl)-1-cyclohexylethanone;2-(3-butylphenyl)ethylcycloheptane;1-[3-(2-cycloheptylethyl)phenyl]butan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclohexan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclopentan-1-ol;(1R,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1R,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol
• PubChem CID: 161371653
• Molecular Formula: C181H278O19
• Molecular Weight: 2758.20 g/mol
• Exact Mass: 2756.08
• IUPAC Name: 1-(3-butylphenyl)-2-cyclohexylethanone;2-(3-butylphenyl)-1-cyclohexylethanone;2-(3-butylphenyl)ethylcycloheptane;1-[3-(2-cycloheptylethyl)phenyl]butan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclohexan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclopentan-1-ol;(1R,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1R,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol
• SMILES: CCC(O)Cc1cccc(CCC2(O)CCCC2)c1.CCC(O)Cc1cccc(CCC2(O)CCCCC2)c1.CCCC(O)c1cccc(CCC2CCCCCC2)c1.CCCCc1cccc(C(=O)CC2CCCCC2)c1.CCCCc1cccc(CC(=O)C2CCCCC2)c1.CCCCc1cccc(CCC2CCCCCC2)c1.CC[C@@H](O)[C@@H](O)c1cccc(CCC2(O)CCCCC2)c1.CC[C@@H](O)[C@H](O)c1cccc(CCC2(O)CCCCC2)c1.CC[C@H](O)[C@@H](O)c1cccc(CCC2(O)CCCCC2)c1.CC[C@H](O)[C@H](O)c1cccc(CCC2(O)CCCCC2)c1
• InChI: InChI=1S/C19H30O.C19H30.4C18H28O3.C18H28O2.2C18H26O.C17H26O2/c1-2-8-19(20)18-12-7-11-17(15-18)14-13-16-9-5-3-4-6-10-16;1-2-3-9-18-12-8-13-19(16-18)15-14-17-10-6-4-5-7-11-17;4*1-2-16(19)17(20)15-8-6-7-14(13-15)9-12-18(21)10-4-3-5-11-18;1-2-17(19)14-16-8-6-7-15(13-16)9-12-18(20)10-4-3-5-11-18;1-2-3-8-15-9-7-10-16(13-15)14-18(19)17-11-5-4-6-12-17;1-2-3-8-15-11-7-12-17(13-15)18(19)14-16-9-5-4-6-10-16;1-2-16(18)13-15-7-5-6-14(12-15)8-11-17(19)9-3-4-10-17/h7,11-12,15-16,19-20H,2-6,8-10,13-14H2,1H3;8,12-13,16-17H,2-7,9-11,14-15H2,1H3;4*6-8,13,16-17,19-21H,2-5,9-12H2,1H3;6-8,13,17,19-20H,2-5,9-12,14H2,1H3;7,9-10,13,17H,2-6,8,11-12,14H2,1H3;7,11-13,16H,2-6,8-10,14H2,1H3;5-7,12,16,18-19H,2-4,8-11,13H2,1H3/t;;2*16-,17+;2*16-,17-;;;;/m..1010..../s1
• InChIKey: VQNOWAPZUVNUEC-MRDLDXLQSA-N
• XLogP: 40.60
• TPSA: 378.05 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 19
• Rotatable Bonds: 60
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2758.20
LogP ≤ 5	40.60
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1-(3-butylphenyl)-2-cyclohexylethanone;2-(3-butylphenyl)-1-cyclohexylethanone;2-(3-butylphenyl)ethylcycloheptane;1-[3-(2-cycloheptylethyl)phenyl]butan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclohexan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclopentan-1-ol;(1R,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1R,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol?

The IUPAC name of 1-(3-butylphenyl)-2-cyclohexylethanone;2-(3-butylphenyl)-1-cyclohexylethanone;2-(3-butylphenyl)ethylcycloheptane;1-[3-(2-cycloheptylethyl)phenyl]butan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclohexan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclopentan-1-ol;(1R,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1R,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol (CID 161371653) is 1-(3-butylphenyl)-2-cyclohexylethanone;2-(3-butylphenyl)-1-cyclohexylethanone;2-(3-butylphenyl)ethylcycloheptane;1-[3-(2-cycloheptylethyl)phenyl]butan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclohexan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclopentan-1-ol;(1R,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1R,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol.

What is the SMILES notation for 1-(3-butylphenyl)-2-cyclohexylethanone;2-(3-butylphenyl)-1-cyclohexylethanone;2-(3-butylphenyl)ethylcycloheptane;1-[3-(2-cycloheptylethyl)phenyl]butan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclohexan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclopentan-1-ol;(1R,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1R,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol?

The canonical SMILES for 1-(3-butylphenyl)-2-cyclohexylethanone;2-(3-butylphenyl)-1-cyclohexylethanone;2-(3-butylphenyl)ethylcycloheptane;1-[3-(2-cycloheptylethyl)phenyl]butan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclohexan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclopentan-1-ol;(1R,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1R,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol is CCC(O)Cc1cccc(CCC2(O)CCCC2)c1.CCC(O)Cc1cccc(CCC2(O)CCCCC2)c1.CCCC(O)c1cccc(CCC2CCCCCC2)c1.CCCCc1cccc(C(=O)CC2CCCCC2)c1.CCCCc1cccc(CC(=O)C2CCCCC2)c1.CCCCc1cccc(CCC2CCCCCC2)c1.CC[C@@H](O)[C@@H](O)c1cccc(CCC2(O)CCCCC2)c1.CC[C@@H](O)[C@H](O)c1cccc(CCC2(O)CCCCC2)c1.CC[C@H](O)[C@@H](O)c1cccc(CCC2(O)CCCCC2)c1.CC[C@H](O)[C@H](O)c1cccc(CCC2(O)CCCCC2)c1.

What is the InChIKey of 1-(3-butylphenyl)-2-cyclohexylethanone;2-(3-butylphenyl)-1-cyclohexylethanone;2-(3-butylphenyl)ethylcycloheptane;1-[3-(2-cycloheptylethyl)phenyl]butan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclohexan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclopentan-1-ol;(1R,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1R,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol?

The InChIKey is VQNOWAPZUVNUEC-MRDLDXLQSA-N. The full InChI is InChI=1S/C19H30O.C19H30.4C18H28O3.C18H28O2.2C18H26O.C17H26O2/c1-2-8-19(20)18-12-7-11-17(15-18)14-13-16-9-5-3-4-6-10-16;1-2-3-9-18-12-8-13-19(16-18)15-14-17-10-6-4-5-7-11-17;4*1-2-16(19)17(20)15-8-6-7-14(13-15)9-12-18(21)10-4-3-5-11-18;1-2-17(19)14-16-8-6-7-15(13-16)9-12-18(20)10-4-3-5-11-18;1-2-3-8-15-9-7-10-16(13-15)14-18(19)17-11-5-4-6-12-17;1-2-3-8-15-11-7-12-17(13-15)18(19)14-16-9-5-4-6-10-16;1-2-16(18)13-15-7-5-6-14(12-15)8-11-17(19)9-3-4-10-17/h7,11-12,15-16,19-20H,2-6,8-10,13-14H2,1H3;8,12-13,16-17H,2-7,9-11,14-15H2,1H3;4*6-8,13,16-17,19-21H,2-5,9-12H2,1H3;6-8,13,17,19-20H,2-5,9-12,14H2,1H3;7,9-10,13,17H,2-6,8,11-12,14H2,1H3;7,11-13,16H,2-6,8-10,14H2,1H3;5-7,12,16,18-19H,2-4,8-11,13H2,1H3/t;;2*16-,17+;2*16-,17-;;;;/m..1010..../s1.

What are the key properties of 1-(3-butylphenyl)-2-cyclohexylethanone;2-(3-butylphenyl)-1-cyclohexylethanone;2-(3-butylphenyl)ethylcycloheptane;1-[3-(2-cycloheptylethyl)phenyl]butan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclohexan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclopentan-1-ol;(1R,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1R,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol?

1-(3-butylphenyl)-2-cyclohexylethanone;2-(3-butylphenyl)-1-cyclohexylethanone;2-(3-butylphenyl)ethylcycloheptane;1-[3-(2-cycloheptylethyl)phenyl]butan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclohexan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclopentan-1-ol;(1R,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1R,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol has a molecular weight of 2758.20 g/mol, XLogP of 40.60, 60 rotatable bonds, 17 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-butylphenyl)-2-cyclohexylethanone;2-(3-butylphenyl)-1-cyclohexylethanone;2-(3-butylphenyl)ethylcycloheptane;1-[3-(2-cycloheptylethyl)phenyl]butan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclohexan-1-ol;1-[2-[3-(2-hydroxybutyl)phenyl]ethyl]cyclopentan-1-ol;(1R,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1R,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2S)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol;(1S,2R)-1-[3-[2-(1-hydroxycyclohexyl)ethyl]phenyl]butane-1,2-diol is sourced from PubChem (CID 161371653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).