5-(4-hydroxyphenyl)-2-methylcyclohexan-1-one

C13H16O2 — CID 141374668

IUPAC5-(4-hydroxyphenyl)-2-methylcyclohexan-1-one
SMILESCC1CCC(c2ccc(O)cc2)CC1=O
InChIInChI=1S/C13H16O2/c1-9-2-3-11(8-13(9)15)10-4-6-12(14)7-5-10/h4-7,9,11,14H,2-3,8H2,1H3
InChIKeyLEOMVLVJEBJOHO-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.86
Rot. Bonds1

About 5-(4-hydroxyphenyl)-2-methylcyclohexan-1-one

5-(4-hydroxyphenyl)-2-methylcyclohexan-1-one (PubChem CID 141374668) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-2-methylcyclohexan-1-one
PubChem CID141374668
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name5-(4-hydroxyphenyl)-2-methylcyclohexan-1-one
SMILESCC1CCC(c2ccc(O)cc2)CC1=O
InChIInChI=1S/C13H16O2/c1-9-2-3-11(8-13(9)15)10-4-6-12(14)7-5-10/h4-7,9,11,14H,2-3,8H2,1H3
InChIKeyLEOMVLVJEBJOHO-UHFFFAOYSA-N
XLogP2.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-hydroxyphenyl)cyclopentan-1-one;3-(4-methylphenyl)cyclopentan-1-one
CID 167708371
2-butanoyl-5-(4-hydroxyphenyl)cyclohexane-1,3-dione
CID 52950763
2-(4-hydroxyphenyl)cyclopentane-1,3-dione
CID 163536929
1,4-bis(4-hydroxyphenyl)-1,3,3a,4,6,6a-hexahydropentalene-2,5-dione
CID 163038939
(2Z,6Z)-4-(4-hydroxyphenyl)-2,6-bis[(4-hydroxyphenyl)methylidene]cyclohexan-1-one
CID 177391216
3-[4-(4-hydroxyphenyl)cyclohexyl]phenol
CID 167227782
3-(4-hydroxyphenyl)-4-methylazetidin-2-one
CID 141021087
(4R)-4-(4-hydroxyphenyl)cyclopent-2-en-1-one
CID 134966917
trans-(2S,5R)-2,5-diphenylcyclohexan-1-one
CID 134846189
4-(1-methylazetidin-3-yl)phenol
CID 84651703
2-(4-hydroxyphenyl)cyclohexan-1-one
CID 14548752
4-(4-methylcyclohexyl)benzoic acid
CID 56632428

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-2-methylcyclohexan-1-one?
The IUPAC name of 5-(4-hydroxyphenyl)-2-methylcyclohexan-1-one (CID 141374668) is 5-(4-hydroxyphenyl)-2-methylcyclohexan-1-one.
What is the SMILES notation for 5-(4-hydroxyphenyl)-2-methylcyclohexan-1-one?
The canonical SMILES for 5-(4-hydroxyphenyl)-2-methylcyclohexan-1-one is CC1CCC(c2ccc(O)cc2)CC1=O.
What is the InChIKey of 5-(4-hydroxyphenyl)-2-methylcyclohexan-1-one?
The InChIKey is LEOMVLVJEBJOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-2-3-11(8-13(9)15)10-4-6-12(14)7-5-10/h4-7,9,11,14H,2-3,8H2,1H3.
What are the key properties of 5-(4-hydroxyphenyl)-2-methylcyclohexan-1-one?
5-(4-hydroxyphenyl)-2-methylcyclohexan-1-one has a molecular weight of 204.27 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-2-methylcyclohexan-1-one is sourced from PubChem (CID 141374668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).