2-(4-methoxyphenyl)-1,2-dihydrophenanthrene

C21H18O — CID 174873984

IUPAC2-(4-methoxyphenyl)-1,2-dihydrophenanthrene
SMILESCOc1ccc(C2C=Cc3c(ccc4ccccc34)C2)cc1
InChIInChI=1S/C21H18O/c1-22-19-11-8-15(9-12-19)17-10-13-21-18(14-17)7-6-16-4-2-3-5-20(16)21/h2-13,17H,14H2,1H3
InChIKeyYCLPYPQDDLWZIJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP5.20
Rot. Bonds2

About 2-(4-methoxyphenyl)-1,2-dihydrophenanthrene

2-(4-methoxyphenyl)-1,2-dihydrophenanthrene (PubChem CID 174873984) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1,2-dihydrophenanthrene.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1,2-dihydrophenanthrene
PubChem CID174873984
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name2-(4-methoxyphenyl)-1,2-dihydrophenanthrene
SMILESCOc1ccc(C2C=Cc3c(ccc4ccccc34)C2)cc1
InChIInChI=1S/C21H18O/c1-22-19-11-8-15(9-12-19)17-10-13-21-18(14-17)7-6-16-4-2-3-5-20(16)21/h2-13,17H,14H2,1H3
InChIKeyYCLPYPQDDLWZIJ-UHFFFAOYSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-methoxyphenyl)-1,2-dihydrophenanthrene 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-methoxyphenyl)-1,2-dihydrophenanthrene?
The IUPAC name of 2-(4-methoxyphenyl)-1,2-dihydrophenanthrene (CID 174873984) is 2-(4-methoxyphenyl)-1,2-dihydrophenanthrene.
What is the SMILES notation for 2-(4-methoxyphenyl)-1,2-dihydrophenanthrene?
The canonical SMILES for 2-(4-methoxyphenyl)-1,2-dihydrophenanthrene is COc1ccc(C2C=Cc3c(ccc4ccccc34)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1,2-dihydrophenanthrene?
The InChIKey is YCLPYPQDDLWZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O/c1-22-19-11-8-15(9-12-19)17-10-13-21-18(14-17)7-6-16-4-2-3-5-20(16)21/h2-13,17H,14H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1,2-dihydrophenanthrene?
2-(4-methoxyphenyl)-1,2-dihydrophenanthrene has a molecular weight of 286.37 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1,2-dihydrophenanthrene is sourced from PubChem (CID 174873984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).