3-(4-hydroxyphenyl)cyclopentan-1-one;3-(4-methylphenyl)cyclopentan-1-one

C23H26O3 — CID 167708371

IUPAC3-(4-hydroxyphenyl)cyclopentan-1-one;3-(4-methylphenyl)cyclopentan-1-one
SMILESCc1ccc(C2CCC(=O)C2)cc1.O=C1CCC(c2ccc(O)cc2)C1
InChIInChI=1S/C12H14O.C11H12O2/c1-9-2-4-10(5-3-9)11-6-7-12(13)8-11;12-10-4-1-8(2-5-10)9-3-6-11(13)7-9/h2-5,11H,6-8H2,1H3;1-2,4-5,9,12H,3,6-7H2
InChIKeyZLKZENLPBCFXAI-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.06
Rot. Bonds2

About 3-(4-hydroxyphenyl)cyclopentan-1-one;3-(4-methylphenyl)cyclopentan-1-one

3-(4-hydroxyphenyl)cyclopentan-1-one;3-(4-methylphenyl)cyclopentan-1-one (PubChem CID 167708371) has the molecular formula C23H26O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)cyclopentan-1-one;3-(4-methylphenyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)cyclopentan-1-one;3-(4-methylphenyl)cyclopentan-1-one
PubChem CID167708371
Molecular FormulaC23H26O3
Molecular Weight350.46 g/mol
Exact Mass350.19
IUPAC Name3-(4-hydroxyphenyl)cyclopentan-1-one;3-(4-methylphenyl)cyclopentan-1-one
SMILESCc1ccc(C2CCC(=O)C2)cc1.O=C1CCC(c2ccc(O)cc2)C1
InChIInChI=1S/C12H14O.C11H12O2/c1-9-2-4-10(5-3-9)11-6-7-12(13)8-11;12-10-4-1-8(2-5-10)9-3-6-11(13)7-9/h2-5,11H,6-8H2,1H3;1-2,4-5,9,12H,3,6-7H2
InChIKeyZLKZENLPBCFXAI-UHFFFAOYSA-N
XLogP5.06
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-propan-2-ylphenyl)cyclopentan-1-one
CID 64519954
3-(4-methoxyphenyl)cyclopentan-1-one
CID 14090910
1-(3,4-dimethylcyclohex-3-en-1-yl)-4-methylbenzene
CID 151968969
5-(4-hydroxyphenyl)-2-methylcyclohexan-1-one
CID 141374668
3-(4-fluoro-3-methylphenyl)cyclopentan-1-one
CID 64521311
1-(4-hydroxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 143669012
CID 59940181
CID 59940181
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
(8S)-8-phenylcyclodecane-1,3,6-trione
CID 125480091
4-methylphenol
CID 70549076
3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione
CID 166947876
3-(2-iodo-5-methylphenyl)cyclopentan-1-one
CID 130045192

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)cyclopentan-1-one;3-(4-methylphenyl)cyclopentan-1-one?
The IUPAC name of 3-(4-hydroxyphenyl)cyclopentan-1-one;3-(4-methylphenyl)cyclopentan-1-one (CID 167708371) is 3-(4-hydroxyphenyl)cyclopentan-1-one;3-(4-methylphenyl)cyclopentan-1-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)cyclopentan-1-one;3-(4-methylphenyl)cyclopentan-1-one?
The canonical SMILES for 3-(4-hydroxyphenyl)cyclopentan-1-one;3-(4-methylphenyl)cyclopentan-1-one is Cc1ccc(C2CCC(=O)C2)cc1.O=C1CCC(c2ccc(O)cc2)C1.
What is the InChIKey of 3-(4-hydroxyphenyl)cyclopentan-1-one;3-(4-methylphenyl)cyclopentan-1-one?
The InChIKey is ZLKZENLPBCFXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O.C11H12O2/c1-9-2-4-10(5-3-9)11-6-7-12(13)8-11;12-10-4-1-8(2-5-10)9-3-6-11(13)7-9/h2-5,11H,6-8H2,1H3;1-2,4-5,9,12H,3,6-7H2.
What are the key properties of 3-(4-hydroxyphenyl)cyclopentan-1-one;3-(4-methylphenyl)cyclopentan-1-one?
3-(4-hydroxyphenyl)cyclopentan-1-one;3-(4-methylphenyl)cyclopentan-1-one has a molecular weight of 350.46 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)cyclopentan-1-one;3-(4-methylphenyl)cyclopentan-1-one is sourced from PubChem (CID 167708371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).