CID 11165651

C21H17O — CID 11165651

IUPAC—
SMILESCc1ccc(-c2ccc(/C=C/C(=O)[C]3[CH][CH][CH][CH]3)cc2)cc1
InChIInChI=1S/C21H17O/c1-16-6-11-18(12-7-16)19-13-8-17(9-14-19)10-15-21(22)20-4-2-3-5-20/h2-15H,1H3/b15-10+
InChIKeyUFQTWZJAIITYMD-XNTDXEJSSA-N
MW285.37 g/mol
LogP4.65
Rot. Bonds4

About CID 11165651

CID 11165651 (PubChem CID 11165651) has the molecular formula C21H17O and a molecular weight of 285.37 g/mol.

Molecular Properties

Compound NameCID 11165651
PubChem CID11165651
Molecular FormulaC21H17O
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name—
SMILESCc1ccc(-c2ccc(/C=C/C(=O)[C]3[CH][CH][CH][CH]3)cc2)cc1
InChIInChI=1S/C21H17O/c1-16-6-11-18(12-7-16)19-13-8-17(9-14-19)10-15-21(22)20-4-2-3-5-20/h2-15H,1H3/b15-10+
InChIKeyUFQTWZJAIITYMD-XNTDXEJSSA-N
XLogP4.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 11165651 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 11406687
CID 11406687
(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12643319
CID 56970833
CID 56970833
(E)-3-(4-methylphenyl)prop-2-enoic acid
CID 731767
(E)-1,3-bis(4-methylphenyl)prop-2-en-1-one;diiodovanadium
CID 161393105
3-(4-bromophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 3733090
bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one);ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;bis(1-methyl-4-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]benzene);(E)-3-(4-methylphenyl)-1-[4-(4-methylphenyl)phenyl]prop-2-en-1-one;bis((4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate)
CID 158344042
bis(bis(4-methylphenyl)diazene);bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one)
CID 159108688
(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
CID 6175900
(E)-1-(2-hydroxy-3,5-dimethylphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 7575127
(Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 92909359
(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 6275541

Frequently Asked Questions

What is the IUPAC name of CID 11165651?
The IUPAC name of CID 11165651 (CID 11165651) is not available.
What is the SMILES notation for CID 11165651?
The canonical SMILES for CID 11165651 is Cc1ccc(-c2ccc(/C=C/C(=O)[C]3[CH][CH][CH][CH]3)cc2)cc1.
What is the InChIKey of CID 11165651?
The InChIKey is UFQTWZJAIITYMD-XNTDXEJSSA-N. The full InChI is InChI=1S/C21H17O/c1-16-6-11-18(12-7-16)19-13-8-17(9-14-19)10-15-21(22)20-4-2-3-5-20/h2-15H,1H3/b15-10+.
What are the key properties of CID 11165651?
CID 11165651 has a molecular weight of 285.37 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11165651 is sourced from PubChem (CID 11165651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).