CID 174024202

C15H14BO — CID 174024202

IUPAC—
SMILESC=C/C=C\c1oc2c([B]C)cccc2c1C=C
InChIInChI=1S/C15H14BO/c1-4-6-10-14-11(5-2)12-8-7-9-13(16-3)15(12)17-14/h4-10H,1-2H2,3H3/b10-6-
InChIKeyAVXPJBHTFDUHOG-POHAHGRESA-N
MW221.09 g/mol
LogP3.65
Rot. Bonds4

About CID 174024202

CID 174024202 (PubChem CID 174024202) has the molecular formula C15H14BO and a molecular weight of 221.09 g/mol.

Molecular Properties

Compound NameCID 174024202
PubChem CID174024202
Molecular FormulaC15H14BO
Molecular Weight221.09 g/mol
Exact Mass221.11
IUPAC Name—
SMILESC=C/C=C\c1oc2c([B]C)cccc2c1C=C
InChIInChI=1S/C15H14BO/c1-4-6-10-14-11(5-2)12-8-7-9-13(16-3)15(12)17-14/h4-10H,1-2H2,3H3/b10-6-
InChIKeyAVXPJBHTFDUHOG-POHAHGRESA-N
XLogP3.65
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 174024202 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 174024202?
The IUPAC name of CID 174024202 (CID 174024202) is not available.
What is the SMILES notation for CID 174024202?
The canonical SMILES for CID 174024202 is C=C/C=C\c1oc2c([B]C)cccc2c1C=C.
What is the InChIKey of CID 174024202?
The InChIKey is AVXPJBHTFDUHOG-POHAHGRESA-N. The full InChI is InChI=1S/C15H14BO/c1-4-6-10-14-11(5-2)12-8-7-9-13(16-3)15(12)17-14/h4-10H,1-2H2,3H3/b10-6-.
What are the key properties of CID 174024202?
CID 174024202 has a molecular weight of 221.09 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174024202 is sourced from PubChem (CID 174024202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).