(8-chlorophenanthren-9-yl)boronic acid

C14H10BClO2 — CID 176907492

IUPAC(8-chlorophenanthren-9-yl)boronic acid
SMILESOB(O)c1cc2ccccc2c2cccc(Cl)c12
InChIInChI=1S/C14H10BClO2/c16-13-7-3-6-11-10-5-2-1-4-9(10)8-12(14(11)13)15(17)18/h1-8,17-18H
InChIKeyHPWGDIZWKUSELJ-UHFFFAOYSA-N
MW256.50 g/mol
LogP2.33
Rot. Bonds1

About (8-chlorophenanthren-9-yl)boronic acid

(8-chlorophenanthren-9-yl)boronic acid (PubChem CID 176907492) has the molecular formula C14H10BClO2 and a molecular weight of 256.50 g/mol. Its IUPAC name is (8-chlorophenanthren-9-yl)boronic acid.

Molecular Properties

Compound Name(8-chlorophenanthren-9-yl)boronic acid
PubChem CID176907492
Molecular FormulaC14H10BClO2
Molecular Weight256.50 g/mol
Exact Mass256.05
IUPAC Name(8-chlorophenanthren-9-yl)boronic acid
SMILESOB(O)c1cc2ccccc2c2cccc(Cl)c12
InChIInChI=1S/C14H10BClO2/c16-13-7-3-6-11-10-5-2-1-4-9(10)8-12(14(11)13)15(17)18/h1-8,17-18H
InChIKeyHPWGDIZWKUSELJ-UHFFFAOYSA-N
XLogP2.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.50
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (8-chlorophenanthren-9-yl)boronic acid 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

phenanthren-9-ylboronic acid
CID 158011086
(5-chloroisoquinolin-4-yl)boronic acid
CID 156697434
9-bromo-1-chloroanthracene
CID 165359177
(4-chloro-1-methoxynaphthalen-2-yl)boronic acid
CID 166475767
(8-chloro-1-methylsulfanylnaphthalen-2-yl)boronic acid
CID 162734835
(3-chloro-1-hydroxynaphthalen-2-yl)boronic acid
CID 162734827
(3-chloro-2-hydroxynaphthalen-1-yl)boronic acid
CID 172762797
10-chlorobenzo[b]triphenylene
CID 15449469
benzo[g][1]benzofuran-4-ylboronic acid
CID 171854414
(4-chloro-1-methylsulfanylnaphthalen-2-yl)boronic acid
CID 162734823
(4-chloro-1-formylnaphthalen-2-yl)boronic acid
CID 89391808
12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-ylboronic acid
CID 153454258

Frequently Asked Questions

What is the IUPAC name of (8-chlorophenanthren-9-yl)boronic acid?
The IUPAC name of (8-chlorophenanthren-9-yl)boronic acid (CID 176907492) is (8-chlorophenanthren-9-yl)boronic acid.
What is the SMILES notation for (8-chlorophenanthren-9-yl)boronic acid?
The canonical SMILES for (8-chlorophenanthren-9-yl)boronic acid is OB(O)c1cc2ccccc2c2cccc(Cl)c12.
What is the InChIKey of (8-chlorophenanthren-9-yl)boronic acid?
The InChIKey is HPWGDIZWKUSELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BClO2/c16-13-7-3-6-11-10-5-2-1-4-9(10)8-12(14(11)13)15(17)18/h1-8,17-18H.
What are the key properties of (8-chlorophenanthren-9-yl)boronic acid?
(8-chlorophenanthren-9-yl)boronic acid has a molecular weight of 256.50 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chlorophenanthren-9-yl)boronic acid is sourced from PubChem (CID 176907492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).