CID 163817229

C15H13B — CID 163817229

IUPAC—
SMILES[B]/C=C/c1ccccc1Cc1ccccc1
InChIInChI=1S/C15H13B/c16-11-10-14-8-4-5-9-15(14)12-13-6-2-1-3-7-13/h1-11H,12H2/b11-10+
InChIKeyRZEHVFORUYGYJN-ZHACJKMWSA-N
MW204.08 g/mol
LogP3.42
Rot. Bonds3

About CID 163817229

CID 163817229 (PubChem CID 163817229) has the molecular formula C15H13B and a molecular weight of 204.08 g/mol.

Molecular Properties

Compound NameCID 163817229
PubChem CID163817229
Molecular FormulaC15H13B
Molecular Weight204.08 g/mol
Exact Mass204.11
IUPAC Name—
SMILES[B]/C=C/c1ccccc1Cc1ccccc1
InChIInChI=1S/C15H13B/c16-11-10-14-8-4-5-9-15(14)12-13-6-2-1-3-7-13/h1-11H,12H2/b11-10+
InChIKeyRZEHVFORUYGYJN-ZHACJKMWSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.08
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 163817229 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)-3-(2-benzylphenyl)prop-2-enoic acid
CID 22364524
2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde
CID 11995210
3-benzyl-2-hydroxybenzaldehyde
CID 22263534
phenyl(113C)methylbenzene
CID 11194569
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
(2-benzylphenyl)azanide
CID 142239074
1-chloro-4-[(2-ethenylphenyl)methyl]benzene
CID 21218414
2-benzylphenol;ethane
CID 91068983
lithium;2-benzylphenol;hydride
CID 174706000
(2-benzylphenyl)-oxosulfanium
CID 174505158
(Z)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoic acid
CID 177483326
2-benzyl-5-chlorobenzaldehyde
CID 121230690

Frequently Asked Questions

What is the IUPAC name of CID 163817229?
The IUPAC name of CID 163817229 (CID 163817229) is not available.
What is the SMILES notation for CID 163817229?
The canonical SMILES for CID 163817229 is [B]/C=C/c1ccccc1Cc1ccccc1.
What is the InChIKey of CID 163817229?
The InChIKey is RZEHVFORUYGYJN-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H13B/c16-11-10-14-8-4-5-9-15(14)12-13-6-2-1-3-7-13/h1-11H,12H2/b11-10+.
What are the key properties of CID 163817229?
CID 163817229 has a molecular weight of 204.08 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163817229 is sourced from PubChem (CID 163817229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).