1-(4-cyclohexyl-3-hydroxyphenyl)ethanone

C14H18O2 — CID 53423517

IUPAC1-(4-cyclohexyl-3-hydroxyphenyl)ethanone
SMILESCC(=O)c1ccc(C2CCCCC2)c(O)c1
InChIInChI=1S/C14H18O2/c1-10(15)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h7-9,11,16H,2-6H2,1H3
InChIKeyYBGYHUNTWRTDQQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.64
Rot. Bonds2

About 1-(4-cyclohexyl-3-hydroxyphenyl)ethanone

1-(4-cyclohexyl-3-hydroxyphenyl)ethanone (PubChem CID 53423517) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(4-cyclohexyl-3-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-cyclohexyl-3-hydroxyphenyl)ethanone
PubChem CID53423517
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(4-cyclohexyl-3-hydroxyphenyl)ethanone
SMILESCC(=O)c1ccc(C2CCCCC2)c(O)c1
InChIInChI=1S/C14H18O2/c1-10(15)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h7-9,11,16H,2-6H2,1H3
InChIKeyYBGYHUNTWRTDQQ-UHFFFAOYSA-N
XLogP3.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(4-cyclohexyl-3-hydroxyphenyl)-2-oxoacetate
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1-(3-cyclopentyl-4-methoxyphenyl)ethanone
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2,5-di(cyclononyl)phenol
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3-cyclohexyl-4-hydroxybenzoic acid
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4,6-dicyclohexylbenzene-1,3-diol
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1-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 58246497
2-cyclohexyl-5-(trifluoromethyl)phenol
CID 117104272
sodium 5-cyclohexyl-4-hydroxy-2-methylbenzoate
CID 175708072
2-cyclododecylphenol
CID 22381643
methyl 4-cyclohexyl-3-methylbenzoate
CID 126540400

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-3-hydroxyphenyl)ethanone?
The IUPAC name of 1-(4-cyclohexyl-3-hydroxyphenyl)ethanone (CID 53423517) is 1-(4-cyclohexyl-3-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(4-cyclohexyl-3-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(4-cyclohexyl-3-hydroxyphenyl)ethanone is CC(=O)c1ccc(C2CCCCC2)c(O)c1.
What is the InChIKey of 1-(4-cyclohexyl-3-hydroxyphenyl)ethanone?
The InChIKey is YBGYHUNTWRTDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10(15)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h7-9,11,16H,2-6H2,1H3.
What are the key properties of 1-(4-cyclohexyl-3-hydroxyphenyl)ethanone?
1-(4-cyclohexyl-3-hydroxyphenyl)ethanone has a molecular weight of 218.30 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-3-hydroxyphenyl)ethanone is sourced from PubChem (CID 53423517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).