4-[1-(2-hydroxyphenyl)ethyl]cyclohexan-1-one

C14H18O2 — CID 139942830

IUPAC4-[1-(2-hydroxyphenyl)ethyl]cyclohexan-1-one
SMILESCC(c1ccccc1O)C1CCC(=O)CC1
InChIInChI=1S/C14H18O2/c1-10(11-6-8-12(15)9-7-11)13-4-2-3-5-14(13)16/h2-5,10-11,16H,6-9H2,1H3
InChIKeyYBWJWYQFTDGRLX-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.26
Rot. Bonds2

About 4-[1-(2-hydroxyphenyl)ethyl]cyclohexan-1-one

4-[1-(2-hydroxyphenyl)ethyl]cyclohexan-1-one (PubChem CID 139942830) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-[1-(2-hydroxyphenyl)ethyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[1-(2-hydroxyphenyl)ethyl]cyclohexan-1-one
PubChem CID139942830
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name4-[1-(2-hydroxyphenyl)ethyl]cyclohexan-1-one
SMILESCC(c1ccccc1O)C1CCC(=O)CC1
InChIInChI=1S/C14H18O2/c1-10(11-6-8-12(15)9-7-11)13-4-2-3-5-14(13)16/h2-5,10-11,16H,6-9H2,1H3
InChIKeyYBWJWYQFTDGRLX-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(thian-4-yl)ethyl]phenol
CID 115033657
2-(1-piperidin-4-ylethyl)phenol
CID 83908775
4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957100
1-(1-cyclopropylethyl)-2-fluorobenzene
CID 126566249
2-bromo-6-[(1R)-1-cyclopropylethyl]phenol
CID 118899018
4-(2,4-dimethylpentan-3-yl)cyclohexan-1-one
CID 58749642
2-[(2R)-butan-2-yl]-6-[(1R)-1-cyclopropylethyl]phenol;ethane
CID 144742837
2-(1-cyclohexylethyl)benzoic acid
CID 115038988
2-(1-cyclopropylethyl)-6-(2-hydroxypropan-2-yl)phenol
CID 118899009
4-(1-phenylethylamino)cyclohexan-1-one
CID 85299534
2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane
CID 144742888
2-[(1S)-1-cyclopropylethyl]-6-pentan-3-ylphenol
CID 144742852

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-hydroxyphenyl)ethyl]cyclohexan-1-one?
The IUPAC name of 4-[1-(2-hydroxyphenyl)ethyl]cyclohexan-1-one (CID 139942830) is 4-[1-(2-hydroxyphenyl)ethyl]cyclohexan-1-one.
What is the SMILES notation for 4-[1-(2-hydroxyphenyl)ethyl]cyclohexan-1-one?
The canonical SMILES for 4-[1-(2-hydroxyphenyl)ethyl]cyclohexan-1-one is CC(c1ccccc1O)C1CCC(=O)CC1.
What is the InChIKey of 4-[1-(2-hydroxyphenyl)ethyl]cyclohexan-1-one?
The InChIKey is YBWJWYQFTDGRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10(11-6-8-12(15)9-7-11)13-4-2-3-5-14(13)16/h2-5,10-11,16H,6-9H2,1H3.
What are the key properties of 4-[1-(2-hydroxyphenyl)ethyl]cyclohexan-1-one?
4-[1-(2-hydroxyphenyl)ethyl]cyclohexan-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-hydroxyphenyl)ethyl]cyclohexan-1-one is sourced from PubChem (CID 139942830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).