3-(3-phenylmethoxyphenyl)cyclohexan-1-one

C19H20O2 — CID 18955612

IUPAC3-(3-phenylmethoxyphenyl)cyclohexan-1-one
SMILESO=C1CCCC(c2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C19H20O2/c20-18-10-4-8-16(12-18)17-9-5-11-19(13-17)21-14-15-6-2-1-3-7-15/h1-3,5-7,9,11,13,16H,4,8,10,12,14H2
InChIKeyIUOBKJOWPOCTPG-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.49
Rot. Bonds4

About 3-(3-phenylmethoxyphenyl)cyclohexan-1-one

3-(3-phenylmethoxyphenyl)cyclohexan-1-one (PubChem CID 18955612) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(3-phenylmethoxyphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(3-phenylmethoxyphenyl)cyclohexan-1-one
PubChem CID18955612
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name3-(3-phenylmethoxyphenyl)cyclohexan-1-one
SMILESO=C1CCCC(c2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C19H20O2/c20-18-10-4-8-16(12-18)17-9-5-11-19(13-17)21-14-15-6-2-1-3-7-15/h1-3,5-7,9,11,13,16H,4,8,10,12,14H2
InChIKeyIUOBKJOWPOCTPG-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylcyclohexyl)-3-phenylmethoxybenzene
CID 174634961
(3R)-3-phenylcyclohexan-1-one
CID 11041212
3-(3-methoxyphenyl)cycloheptan-1-one
CID 64505032
1-(3,3-dimethoxycyclohexyl)-3-phenylmethoxybenzene
CID 18955609
tert-butyl 3-(3-phenylmethoxyphenyl)azetidine-1-carboxylate
CID 71463776
2-[3-(4-phenylmethoxyphenyl)cyclohexylidene]acetic acid
CID 68685222
3-(3-phenylmethoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 134611920
1-methyl-4-(3-phenylmethoxyphenyl)-2-sulfanylidene-4,6,7,8-tetrahydro-3H-quinazolin-5-one
CID 110528892
5-(3-ethoxyphenyl)cyclohexane-1,3-dione
CID 17122310
3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one
CID 118324757
N,N-dimethyl-2-[3-(3-phenylmethoxyphenyl)cyclobutyl]oxyethanamine
CID 173168921
(1R,2R,3R,5S)-8-methyl-2-(3-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid;hydrochloride
CID 70577900

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylmethoxyphenyl)cyclohexan-1-one?
The IUPAC name of 3-(3-phenylmethoxyphenyl)cyclohexan-1-one (CID 18955612) is 3-(3-phenylmethoxyphenyl)cyclohexan-1-one.
What is the SMILES notation for 3-(3-phenylmethoxyphenyl)cyclohexan-1-one?
The canonical SMILES for 3-(3-phenylmethoxyphenyl)cyclohexan-1-one is O=C1CCCC(c2cccc(OCc3ccccc3)c2)C1.
What is the InChIKey of 3-(3-phenylmethoxyphenyl)cyclohexan-1-one?
The InChIKey is IUOBKJOWPOCTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c20-18-10-4-8-16(12-18)17-9-5-11-19(13-17)21-14-15-6-2-1-3-7-15/h1-3,5-7,9,11,13,16H,4,8,10,12,14H2.
What are the key properties of 3-(3-phenylmethoxyphenyl)cyclohexan-1-one?
3-(3-phenylmethoxyphenyl)cyclohexan-1-one has a molecular weight of 280.37 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylmethoxyphenyl)cyclohexan-1-one is sourced from PubChem (CID 18955612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).