6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one

C15H20O2 — CID 15858385

IUPAC6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one
SMILESCC(C)=CC(=O)CC(C)c1ccc(C)c(O)c1
InChIInChI=1S/C15H20O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5-7,9,12,17H,8H2,1-4H3
InChIKeyOSIFVLKZUWRNBN-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.73
Rot. Bonds4

About 6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one

6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one (PubChem CID 15858385) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one.

Molecular Properties

Compound Name6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one
PubChem CID15858385
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one
SMILESCC(C)=CC(=O)CC(C)c1ccc(C)c(O)c1
InChIInChI=1S/C15H20O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5-7,9,12,17H,8H2,1-4H3
InChIKeyOSIFVLKZUWRNBN-UHFFFAOYSA-N
XLogP3.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(6S)-6-(4-hydroxy-3-methylphenyl)-2-methylhept-2-en-4-one
CID 16743815
(6S)-6-[4-(hydroxymethyl)phenyl]-2-methylhept-2-en-4-one
CID 177484768
4-[(2S)-6-methyl-4-oxohept-5-en-2-yl]benzoic acid
CID 162933956
5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol
CID 130678232
2-methyl-5-pentan-2-ylphenol
CID 130033342
4-(3,4-dihydroxyphenyl)pentan-2-one
CID 83907699
2-methyl-5-[(2R)-6-methylheptan-2-yl]phenol
CID 71369401
(3R)-3-(3,4-dimethylphenyl)butanoic acid
CID 42073243
(2R)-2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetic acid
CID 57154315
2-(3-hydroxy-4-methylphenyl)but-3-enoic acid
CID 163576235
5-(1-hydroxypropyl)-2-methylphenol
CID 88978695
propyl 2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetate
CID 22283713

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one?
The IUPAC name of 6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one (CID 15858385) is 6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one.
What is the SMILES notation for 6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one?
The canonical SMILES for 6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one is CC(C)=CC(=O)CC(C)c1ccc(C)c(O)c1.
What is the InChIKey of 6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one?
The InChIKey is OSIFVLKZUWRNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5-7,9,12,17H,8H2,1-4H3.
What are the key properties of 6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one?
6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one has a molecular weight of 232.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one is sourced from PubChem (CID 15858385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).