9-methoxyphenanthrene

C15H12O — CID 610364

IUPAC9-methoxyphenanthrene
SMILESCOc1cc2ccccc2c2ccccc12
InChIInChI=1S/C15H12O/c1-16-15-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15/h2-10H,1H3
InChIKeyBPGOLTXKNOSDMR-UHFFFAOYSA-N
MW208.26 g/mol
LogP4.00
Rot. Bonds1

About 9-methoxyphenanthrene

9-methoxyphenanthrene (PubChem CID 610364) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is 9-methoxyphenanthrene.

Molecular Properties

Compound Name9-methoxyphenanthrene
PubChem CID610364
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name9-methoxyphenanthrene
SMILESCOc1cc2ccccc2c2ccccc12
InChIInChI=1S/C15H12O/c1-16-15-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15/h2-10H,1H3
InChIKeyBPGOLTXKNOSDMR-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-methoxyphenanthrene 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 9-methoxyphenanthrene?
The IUPAC name of 9-methoxyphenanthrene (CID 610364) is 9-methoxyphenanthrene.
What is the SMILES notation for 9-methoxyphenanthrene?
The canonical SMILES for 9-methoxyphenanthrene is COc1cc2ccccc2c2ccccc12.
What is the InChIKey of 9-methoxyphenanthrene?
The InChIKey is BPGOLTXKNOSDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c1-16-15-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15/h2-10H,1H3.
What are the key properties of 9-methoxyphenanthrene?
9-methoxyphenanthrene has a molecular weight of 208.26 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxyphenanthrene is sourced from PubChem (CID 610364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).