2,4,7-trimethoxyphenanthrene

C17H16O3 — CID 15693458

IUPAC2,4,7-trimethoxyphenanthrene
SMILESCOc1ccc2c(ccc3cc(OC)cc(OC)c32)c1
InChIInChI=1S/C17H16O3/c1-18-13-6-7-15-11(8-13)4-5-12-9-14(19-2)10-16(20-3)17(12)15/h4-10H,1-3H3
InChIKeyXMQKMUPVLZWRKF-UHFFFAOYSA-N
MW268.31 g/mol
LogP4.02
Rot. Bonds3

About 2,4,7-trimethoxyphenanthrene

2,4,7-trimethoxyphenanthrene (PubChem CID 15693458) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2,4,7-trimethoxyphenanthrene.

Molecular Properties

Compound Name2,4,7-trimethoxyphenanthrene
PubChem CID15693458
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2,4,7-trimethoxyphenanthrene
SMILESCOc1ccc2c(ccc3cc(OC)cc(OC)c32)c1
InChIInChI=1S/C17H16O3/c1-18-13-6-7-15-11(8-13)4-5-12-9-14(19-2)10-16(20-3)17(12)15/h4-10H,1-3H3
InChIKeyXMQKMUPVLZWRKF-UHFFFAOYSA-N
XLogP4.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4,7-trimethoxyphenanthrene 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 2,4,7-trimethoxyphenanthrene?
The IUPAC name of 2,4,7-trimethoxyphenanthrene (CID 15693458) is 2,4,7-trimethoxyphenanthrene.
What is the SMILES notation for 2,4,7-trimethoxyphenanthrene?
The canonical SMILES for 2,4,7-trimethoxyphenanthrene is COc1ccc2c(ccc3cc(OC)cc(OC)c32)c1.
What is the InChIKey of 2,4,7-trimethoxyphenanthrene?
The InChIKey is XMQKMUPVLZWRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-18-13-6-7-15-11(8-13)4-5-12-9-14(19-2)10-16(20-3)17(12)15/h4-10H,1-3H3.
What are the key properties of 2,4,7-trimethoxyphenanthrene?
2,4,7-trimethoxyphenanthrene has a molecular weight of 268.31 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trimethoxyphenanthrene is sourced from PubChem (CID 15693458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).