CID 11406687

C20H15O — CID 11406687

IUPAC—
SMILESO=C(/C=C/c1ccc(-c2ccccc2)cc1)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C20H15O/c21-20(19-8-4-5-9-19)15-12-16-10-13-18(14-11-16)17-6-2-1-3-7-17/h1-15H/b15-12+
InChIKeyQJPQIYZLIBLTCR-NTCAYCPXSA-N
MW271.34 g/mol
LogP4.34
Rot. Bonds4

About CID 11406687

CID 11406687 (PubChem CID 11406687) has the molecular formula C20H15O and a molecular weight of 271.34 g/mol.

Molecular Properties

Compound NameCID 11406687
PubChem CID11406687
Molecular FormulaC20H15O
Molecular Weight271.34 g/mol
Exact Mass271.11
IUPAC Name—
SMILESO=C(/C=C/c1ccc(-c2ccccc2)cc1)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C20H15O/c21-20(19-8-4-5-9-19)15-12-16-10-13-18(14-11-16)17-6-2-1-3-7-17/h1-15H/b15-12+
InChIKeyQJPQIYZLIBLTCR-NTCAYCPXSA-N
XLogP4.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 11406687 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

CID 11165651
CID 11165651
CID 11375425
CID 11375425
(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12643319
3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 4672651
CID 56970833
CID 56970833
(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(4-phenylphenyl)prop-2-en-1-one
CID 169042143
(E)-1-(2,4-dihydroxyphenyl)-3-(4-phenylphenyl)prop-2-en-1-one
CID 151077564
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
(E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one
CID 101376278
3-[3-[3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
CID 3939138
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
1-(4-ethylsulfanylphenyl)-3-(4-phenylphenyl)prop-2-en-1-one
CID 67828986

Frequently Asked Questions

What is the IUPAC name of CID 11406687?
The IUPAC name of CID 11406687 (CID 11406687) is not available.
What is the SMILES notation for CID 11406687?
The canonical SMILES for CID 11406687 is O=C(/C=C/c1ccc(-c2ccccc2)cc1)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 11406687?
The InChIKey is QJPQIYZLIBLTCR-NTCAYCPXSA-N. The full InChI is InChI=1S/C20H15O/c21-20(19-8-4-5-9-19)15-12-16-10-13-18(14-11-16)17-6-2-1-3-7-17/h1-15H/b15-12+.
What are the key properties of CID 11406687?
CID 11406687 has a molecular weight of 271.34 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11406687 is sourced from PubChem (CID 11406687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).