(4-cyclohexylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone

C17H22O2 — CID 116921091

IUPAC(4-cyclohexylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
SMILESO=C(c1ccc(C2CCCCC2)cc1)C1(CO)CC1
InChIInChI=1S/C17H22O2/c18-12-17(10-11-17)16(19)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-9,13,18H,1-5,10-12H2
InChIKeyLRABYMPNKXXSNS-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.69
Rot. Bonds4

About (4-cyclohexylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone

(4-cyclohexylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone (PubChem CID 116921091) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (4-cyclohexylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-cyclohexylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
PubChem CID116921091
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name(4-cyclohexylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
SMILESO=C(c1ccc(C2CCCCC2)cc1)C1(CO)CC1
InChIInChI=1S/C17H22O2/c18-12-17(10-11-17)16(19)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-9,13,18H,1-5,10-12H2
InChIKeyLRABYMPNKXXSNS-UHFFFAOYSA-N
XLogP3.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclohexylbenzoyl)cyclopropane-1-carbonitrile
CID 116920814
4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid
CID 22682606
2-bromo-1-(4-cyclohexylphenyl)ethanone
CID 2756899
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
(4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 116570705
4-(4-cyclobutylphenyl)benzoic acid
CID 116506494
[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
CID 3766004
4-[(4-cyclohexylphenyl)-sulfanylmethyl]benzoic acid
CID 22216670
2-[(4-cyclohexylbenzoyl)amino]acetic acid
CID 82485147
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
2-(4-cyclohexylphenyl)-2-oxoacetyl chloride
CID 11107786
2-(4-cyclohexylbenzoyl)prop-2-enoic acid
CID 620989

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone?
The IUPAC name of (4-cyclohexylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone (CID 116921091) is (4-cyclohexylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone.
What is the SMILES notation for (4-cyclohexylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone?
The canonical SMILES for (4-cyclohexylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone is O=C(c1ccc(C2CCCCC2)cc1)C1(CO)CC1.
What is the InChIKey of (4-cyclohexylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone?
The InChIKey is LRABYMPNKXXSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c18-12-17(10-11-17)16(19)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-9,13,18H,1-5,10-12H2.
What are the key properties of (4-cyclohexylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone?
(4-cyclohexylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone has a molecular weight of 258.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone is sourced from PubChem (CID 116921091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).