bis[4-ethyl-2-(1-hydroxycyclohexyl)phenyl]methanone

C29H38O3 — CID 150663954

IUPACbis[4-ethyl-2-(1-hydroxycyclohexyl)phenyl]methanone
SMILESCCc1ccc(C(=O)c2ccc(CC)cc2C2(O)CCCCC2)c(C2(O)CCCCC2)c1
InChIInChI=1S/C29H38O3/c1-3-21-11-13-23(25(19-21)28(31)15-7-5-8-16-28)27(30)24-14-12-22(4-2)20-26(24)29(32)17-9-6-10-18-29/h11-14,19-20,31-32H,3-10,15-18H2,1-2H3
InChIKeyJELQJHRDLISERX-UHFFFAOYSA-N
MW434.62 g/mol
LogP6.35
Rot. Bonds6

About bis[4-ethyl-2-(1-hydroxycyclohexyl)phenyl]methanone

bis[4-ethyl-2-(1-hydroxycyclohexyl)phenyl]methanone (PubChem CID 150663954) has the molecular formula C29H38O3 and a molecular weight of 434.62 g/mol. Its IUPAC name is bis[4-ethyl-2-(1-hydroxycyclohexyl)phenyl]methanone.

Molecular Properties

Compound Namebis[4-ethyl-2-(1-hydroxycyclohexyl)phenyl]methanone
PubChem CID150663954
Molecular FormulaC29H38O3
Molecular Weight434.62 g/mol
Exact Mass434.28
IUPAC Namebis[4-ethyl-2-(1-hydroxycyclohexyl)phenyl]methanone
SMILESCCc1ccc(C(=O)c2ccc(CC)cc2C2(O)CCCCC2)c(C2(O)CCCCC2)c1
InChIInChI=1S/C29H38O3/c1-3-21-11-13-23(25(19-21)28(31)15-7-5-8-16-28)27(30)24-14-12-22(4-2)20-26(24)29(32)17-9-6-10-18-29/h11-14,19-20,31-32H,3-10,15-18H2,1-2H3
InChIKeyJELQJHRDLISERX-UHFFFAOYSA-N
XLogP6.35
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.62
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-(1-hydroxycyclopropyl)phenol
CID 117277828
2-[3,4-bis(1-hydroxycyclohexyl)phenyl]acetic acid
CID 151833812
1-[2-(dimethylamino)-5-ethylphenyl]cyclopropan-1-ol
CID 117117428
1-[5-[(dimethylamino)methyl]-2-(1-hydroxycyclohexyl)phenyl]ethanone
CID 67689565
1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117438769
[1-(5-ethyl-2-methylphenyl)cyclopentyl]methanamine
CID 117310072
[2-(1-hydroxycyclohexyl)phenyl]-[2-(2,4,6-trimethylbenzoyl)phenyl]methanone
CID 121433859
1-(2-chloro-4-ethylphenyl)cyclopropan-1-ol;ethane
CID 177016687
1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid
CID 117311145
1-(5-ethyl-2-methylphenyl)cyclohexan-1-amine
CID 117310158
1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 62738855
[1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine
CID 117281665

Frequently Asked Questions

What is the IUPAC name of bis[4-ethyl-2-(1-hydroxycyclohexyl)phenyl]methanone?
The IUPAC name of bis[4-ethyl-2-(1-hydroxycyclohexyl)phenyl]methanone (CID 150663954) is bis[4-ethyl-2-(1-hydroxycyclohexyl)phenyl]methanone.
What is the SMILES notation for bis[4-ethyl-2-(1-hydroxycyclohexyl)phenyl]methanone?
The canonical SMILES for bis[4-ethyl-2-(1-hydroxycyclohexyl)phenyl]methanone is CCc1ccc(C(=O)c2ccc(CC)cc2C2(O)CCCCC2)c(C2(O)CCCCC2)c1.
What is the InChIKey of bis[4-ethyl-2-(1-hydroxycyclohexyl)phenyl]methanone?
The InChIKey is JELQJHRDLISERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38O3/c1-3-21-11-13-23(25(19-21)28(31)15-7-5-8-16-28)27(30)24-14-12-22(4-2)20-26(24)29(32)17-9-6-10-18-29/h11-14,19-20,31-32H,3-10,15-18H2,1-2H3.
What are the key properties of bis[4-ethyl-2-(1-hydroxycyclohexyl)phenyl]methanone?
bis[4-ethyl-2-(1-hydroxycyclohexyl)phenyl]methanone has a molecular weight of 434.62 g/mol, XLogP of 6.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-ethyl-2-(1-hydroxycyclohexyl)phenyl]methanone is sourced from PubChem (CID 150663954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).