(1-hydroxycyclohexyl)-(2-propan-2-ylphenyl)methanone

C16H22O2 — CID 22019782

IUPAC(1-hydroxycyclohexyl)-(2-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccccc1C(=O)C1(O)CCCCC1
InChIInChI=1S/C16H22O2/c1-12(2)13-8-4-5-9-14(13)15(17)16(18)10-6-3-7-11-16/h4-5,8-9,12,18H,3,6-7,10-11H2,1-2H3
InChIKeyJLPPLYDTIBKMIN-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.69
Rot. Bonds3

About (1-hydroxycyclohexyl)-(2-propan-2-ylphenyl)methanone

(1-hydroxycyclohexyl)-(2-propan-2-ylphenyl)methanone (PubChem CID 22019782) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (1-hydroxycyclohexyl)-(2-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(1-hydroxycyclohexyl)-(2-propan-2-ylphenyl)methanone
PubChem CID22019782
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(1-hydroxycyclohexyl)-(2-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccccc1C(=O)C1(O)CCCCC1
InChIInChI=1S/C16H22O2/c1-12(2)13-8-4-5-9-14(13)15(17)16(18)10-6-3-7-11-16/h4-5,8-9,12,18H,3,6-7,10-11H2,1-2H3
InChIKeyJLPPLYDTIBKMIN-UHFFFAOYSA-N
XLogP3.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone
CID 103450061
1-(2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117368448
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
(2-dodecylphenyl)-(1-hydroxycyclohexyl)methanone
CID 158895030
hydrazine;(1-hydroxycyclohexyl)-phenylmethanone
CID 161340998
cyclohexyl-(2-propan-2-ylphenyl)methanone
CID 146007151
N,2-di(propan-2-yl)benzamide
CID 14972595
2,3-dihydro-1-benzofuran-7-yl-(1-hydroxycycloheptyl)methanone
CID 103450262
(1-hydroxycycloheptyl)-(4-methyl-3-pyridinyl)methanone
CID 103450134
1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone
CID 175084066
cyclopropyl-(2-propan-2-ylphenyl)methanone
CID 53437883
(1-hydroxycyclohexyl)-(3-methylphenyl)methanone
CID 103449690

Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclohexyl)-(2-propan-2-ylphenyl)methanone?
The IUPAC name of (1-hydroxycyclohexyl)-(2-propan-2-ylphenyl)methanone (CID 22019782) is (1-hydroxycyclohexyl)-(2-propan-2-ylphenyl)methanone.
What is the SMILES notation for (1-hydroxycyclohexyl)-(2-propan-2-ylphenyl)methanone?
The canonical SMILES for (1-hydroxycyclohexyl)-(2-propan-2-ylphenyl)methanone is CC(C)c1ccccc1C(=O)C1(O)CCCCC1.
What is the InChIKey of (1-hydroxycyclohexyl)-(2-propan-2-ylphenyl)methanone?
The InChIKey is JLPPLYDTIBKMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-12(2)13-8-4-5-9-14(13)15(17)16(18)10-6-3-7-11-16/h4-5,8-9,12,18H,3,6-7,10-11H2,1-2H3.
What are the key properties of (1-hydroxycyclohexyl)-(2-propan-2-ylphenyl)methanone?
(1-hydroxycyclohexyl)-(2-propan-2-ylphenyl)methanone has a molecular weight of 246.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclohexyl)-(2-propan-2-ylphenyl)methanone is sourced from PubChem (CID 22019782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).