3-methyl-4-(2-methylphenyl)phenanthrene

C22H18 — CID 145272616

IUPAC3-methyl-4-(2-methylphenyl)phenanthrene
SMILESCc1ccccc1-c1c(C)ccc2ccc3ccccc3c12
InChIInChI=1S/C22H18/c1-15-7-3-5-9-19(15)21-16(2)11-12-18-14-13-17-8-4-6-10-20(17)22(18)21/h3-14H,1-2H3
InChIKeyFWOOZFFBINEUTQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP6.28
Rot. Bonds1

About 3-methyl-4-(2-methylphenyl)phenanthrene

3-methyl-4-(2-methylphenyl)phenanthrene (PubChem CID 145272616) has the molecular formula C22H18 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-methyl-4-(2-methylphenyl)phenanthrene.

Molecular Properties

Compound Name3-methyl-4-(2-methylphenyl)phenanthrene
PubChem CID145272616
Molecular FormulaC22H18
Molecular Weight282.39 g/mol
Exact Mass282.14
IUPAC Name3-methyl-4-(2-methylphenyl)phenanthrene
SMILESCc1ccccc1-c1c(C)ccc2ccc3ccccc3c12
InChIInChI=1S/C22H18/c1-15-7-3-5-9-19(15)21-16(2)11-12-18-14-13-17-8-4-6-10-20(17)22(18)21/h3-14H,1-2H3
InChIKeyFWOOZFFBINEUTQ-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylphenyl)phenanthrene?
The IUPAC name of 3-methyl-4-(2-methylphenyl)phenanthrene (CID 145272616) is 3-methyl-4-(2-methylphenyl)phenanthrene.
What is the SMILES notation for 3-methyl-4-(2-methylphenyl)phenanthrene?
The canonical SMILES for 3-methyl-4-(2-methylphenyl)phenanthrene is Cc1ccccc1-c1c(C)ccc2ccc3ccccc3c12.
What is the InChIKey of 3-methyl-4-(2-methylphenyl)phenanthrene?
The InChIKey is FWOOZFFBINEUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18/c1-15-7-3-5-9-19(15)21-16(2)11-12-18-14-13-17-8-4-6-10-20(17)22(18)21/h3-14H,1-2H3.
What are the key properties of 3-methyl-4-(2-methylphenyl)phenanthrene?
3-methyl-4-(2-methylphenyl)phenanthrene has a molecular weight of 282.39 g/mol, XLogP of 6.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylphenyl)phenanthrene is sourced from PubChem (CID 145272616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).