phenanthren-3-ol

C14H10O — CID 73057263

IUPACphenanthren-3-ol
SMILESOc1ccc2cc[13c]3[13cH][13cH][13cH][13cH][13c]3c2c1
InChIInChI=1S/C14H10O/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9,15H/i1+1,2+1,3+1,4+1,10+1,13+1
InChIKeyNGPOABOEXMDQBT-JOCKUXRRSA-N
MW200.19 g/mol
LogP3.70
Rot. Bonds

About phenanthren-3-ol

phenanthren-3-ol (PubChem CID 73057263) has the molecular formula C14H10O and a molecular weight of 200.19 g/mol. Its IUPAC name is phenanthren-3-ol.

Molecular Properties

Compound Namephenanthren-3-ol
PubChem CID73057263
Molecular FormulaC14H10O
Molecular Weight200.19 g/mol
Exact Mass200.09
IUPAC Namephenanthren-3-ol
SMILESOc1ccc2cc[13c]3[13cH][13cH][13cH][13cH][13c]3c2c1
InChIInChI=1S/C14H10O/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9,15H/i1+1,2+1,3+1,4+1,10+1,13+1
InChIKeyNGPOABOEXMDQBT-JOCKUXRRSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze phenanthren-3-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 phenanthren-3-ol?
The IUPAC name of phenanthren-3-ol (CID 73057263) is phenanthren-3-ol.
What is the SMILES notation for phenanthren-3-ol?
The canonical SMILES for phenanthren-3-ol is Oc1ccc2cc[13c]3[13cH][13cH][13cH][13cH][13c]3c2c1.
What is the InChIKey of phenanthren-3-ol?
The InChIKey is NGPOABOEXMDQBT-JOCKUXRRSA-N. The full InChI is InChI=1S/C14H10O/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9,15H/i1+1,2+1,3+1,4+1,10+1,13+1.
What are the key properties of phenanthren-3-ol?
phenanthren-3-ol has a molecular weight of 200.19 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthren-3-ol is sourced from PubChem (CID 73057263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).