(6-hydroxy-6-phenylmethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone

C20H18O3 — CID 22395583

IUPAC(6-hydroxy-6-phenylmethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1C=CC=CC1(O)OCc1ccccc1
InChIInChI=1S/C20H18O3/c21-19(17-11-5-2-6-12-17)18-13-7-8-14-20(18,22)23-15-16-9-3-1-4-10-16/h1-14,18,22H,15H2
InChIKeyZSDGRENCXPXEDS-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.52
Rot. Bonds5

About (6-hydroxy-6-phenylmethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone

(6-hydroxy-6-phenylmethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone (PubChem CID 22395583) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is (6-hydroxy-6-phenylmethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-hydroxy-6-phenylmethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone
PubChem CID22395583
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name(6-hydroxy-6-phenylmethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1C=CC=CC1(O)OCc1ccccc1
InChIInChI=1S/C20H18O3/c21-19(17-11-5-2-6-12-17)18-13-7-8-14-20(18,22)23-15-16-9-3-1-4-10-16/h1-14,18,22H,15H2
InChIKeyZSDGRENCXPXEDS-UHFFFAOYSA-N
XLogP3.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (6-hydroxy-6-phenylmethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone 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

(6-benzoyl-1-hydroxycyclohexa-2,4-dien-1-yl) prop-2-enoate
CID 172708153
(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 154355270
6-benzoyl-1-methoxycyclohexa-2,4-diene-1-carboxylic acid
CID 159234773
6-methoxy-6-phenylmethoxycyclohexa-2,4-diene-1-carboxylic acid
CID 156504201
(6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 160596200
1-(5-benzoyl-6,6-diethoxycyclohexa-1,3-dien-1-yl)-2-phenylethanone
CID 174765956
2-phenylmethoxy-1H-pyridine-2-carboxylic acid
CID 19960310
[6-(4-aminophenyl)-6-propylcyclohexa-2,4-dien-1-yl]-phenylmethanone
CID 175755614
1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol
CID 134987886
ethyl 6-hydroxy-6-(5-phenylpentanoyl)cyclohexa-2,4-diene-1-carboxylate
CID 70062724
2-(6,6-dimethoxycyclohexa-2,4-dien-1-yl)-1-phenylethanone
CID 22253865
phenyl-[(3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]methanone
CID 151034583

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-6-phenylmethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone?
The IUPAC name of (6-hydroxy-6-phenylmethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone (CID 22395583) is (6-hydroxy-6-phenylmethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone.
What is the SMILES notation for (6-hydroxy-6-phenylmethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone?
The canonical SMILES for (6-hydroxy-6-phenylmethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone is O=C(c1ccccc1)C1C=CC=CC1(O)OCc1ccccc1.
What is the InChIKey of (6-hydroxy-6-phenylmethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone?
The InChIKey is ZSDGRENCXPXEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c21-19(17-11-5-2-6-12-17)18-13-7-8-14-20(18,22)23-15-16-9-3-1-4-10-16/h1-14,18,22H,15H2.
What are the key properties of (6-hydroxy-6-phenylmethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone?
(6-hydroxy-6-phenylmethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone has a molecular weight of 306.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-6-phenylmethoxycyclohexa-2,4-dien-1-yl)-phenylmethanone is sourced from PubChem (CID 22395583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).