(E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one

C14H18O2 — CID 89392767

IUPAC(E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one
SMILESCC(C)(O)C(=O)CC/C=C/c1ccccc1
InChIInChI=1S/C14H18O2/c1-14(2,16)13(15)11-7-6-10-12-8-4-3-5-9-12/h3-6,8-10,16H,7,11H2,1-2H3/b10-6+
InChIKeyIZVQWXXDQIRKAF-UXBLZVDNSA-N
MW218.30 g/mol
LogP2.82
Rot. Bonds5

About (E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one

(E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one (PubChem CID 89392767) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one.

Molecular Properties

Compound Name(E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one
PubChem CID89392767
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one
SMILESCC(C)(O)C(=O)CC/C=C/c1ccccc1
InChIInChI=1S/C14H18O2/c1-14(2,16)13(15)11-7-6-10-12-8-4-3-5-9-12/h3-6,8-10,16H,7,11H2,1-2H3/b10-6+
InChIKeyIZVQWXXDQIRKAF-UXBLZVDNSA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-5-phenylpent-4-enoic acid
CID 5370650
(E)-2-methyl-6-phenylhex-5-en-2-ol
CID 82468818
7-phenylhept-6-en-2-one
CID 582607
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-phenylpent-4-enamide
CID 111436003
dimethylamino (E)-5-phenylpent-4-enoate
CID 174423096
5-methyl-9-phenylnona-4,8-dienal
CID 71394074
3-methyl-2-[[(E)-5-phenylpent-4-enoyl]amino]butanoic acid
CID 119169932
methyl (E)-2-methylidene-6-phenylhex-5-enoate
CID 58412278
N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide
CID 111451822
butanoic acid;3-phenylprop-2-en-1-ol
CID 175086989
(E)-1-(4-chlorophenyl)-5-phenylpent-4-en-1-one
CID 11346279
5-ethenylocta-1,5-dienylbenzene
CID 91256649

Frequently Asked Questions

What is the IUPAC name of (E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one?
The IUPAC name of (E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one (CID 89392767) is (E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one.
What is the SMILES notation for (E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one?
The canonical SMILES for (E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one is CC(C)(O)C(=O)CC/C=C/c1ccccc1.
What is the InChIKey of (E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one?
The InChIKey is IZVQWXXDQIRKAF-UXBLZVDNSA-N. The full InChI is InChI=1S/C14H18O2/c1-14(2,16)13(15)11-7-6-10-12-8-4-3-5-9-12/h3-6,8-10,16H,7,11H2,1-2H3/b10-6+.
What are the key properties of (E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one?
(E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one has a molecular weight of 218.30 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one is sourced from PubChem (CID 89392767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).