2-chlorophenanthren-1-ol

C14H9ClO — CID 88831797

IUPAC2-chlorophenanthren-1-ol
SMILESOc1c(Cl)ccc2c1ccc1ccccc12
InChIInChI=1S/C14H9ClO/c15-13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14(13)16/h1-8,16H
InChIKeyOQDNXNAXJRSBNP-UHFFFAOYSA-N
MW228.68 g/mol
LogP4.35
Rot. Bonds

About 2-chlorophenanthren-1-ol

2-chlorophenanthren-1-ol (PubChem CID 88831797) has the molecular formula C14H9ClO and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-chlorophenanthren-1-ol.

Molecular Properties

Compound Name2-chlorophenanthren-1-ol
PubChem CID88831797
Molecular FormulaC14H9ClO
Molecular Weight228.68 g/mol
Exact Mass228.03
IUPAC Name2-chlorophenanthren-1-ol
SMILESOc1c(Cl)ccc2c1ccc1ccccc12
InChIInChI=1S/C14H9ClO/c15-13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14(13)16/h1-8,16H
InChIKeyOQDNXNAXJRSBNP-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chlorophenanthren-1-ol 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 2-chlorophenanthren-1-ol?
The IUPAC name of 2-chlorophenanthren-1-ol (CID 88831797) is 2-chlorophenanthren-1-ol.
What is the SMILES notation for 2-chlorophenanthren-1-ol?
The canonical SMILES for 2-chlorophenanthren-1-ol is Oc1c(Cl)ccc2c1ccc1ccccc12.
What is the InChIKey of 2-chlorophenanthren-1-ol?
The InChIKey is OQDNXNAXJRSBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO/c15-13-8-7-11-10-4-2-1-3-9(10)5-6-12(11)14(13)16/h1-8,16H.
What are the key properties of 2-chlorophenanthren-1-ol?
2-chlorophenanthren-1-ol has a molecular weight of 228.68 g/mol, XLogP of 4.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorophenanthren-1-ol is sourced from PubChem (CID 88831797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).