3,6-dimethyl-1-phenylnaphthalene

C18H16 — CID 123256332

IUPAC3,6-dimethyl-1-phenylnaphthalene
SMILESCc1ccc2c(-c3ccccc3)cc(C)cc2c1
InChIInChI=1S/C18H16/c1-13-8-9-17-16(10-13)11-14(2)12-18(17)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyLFRPMIPELJZWSJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP5.12
Rot. Bonds1

About 3,6-dimethyl-1-phenylnaphthalene

3,6-dimethyl-1-phenylnaphthalene (PubChem CID 123256332) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3,6-dimethyl-1-phenylnaphthalene.

Molecular Properties

Compound Name3,6-dimethyl-1-phenylnaphthalene
PubChem CID123256332
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name3,6-dimethyl-1-phenylnaphthalene
SMILESCc1ccc2c(-c3ccccc3)cc(C)cc2c1
InChIInChI=1S/C18H16/c1-13-8-9-17-16(10-13)11-14(2)12-18(17)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyLFRPMIPELJZWSJ-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.33
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,6-dimethyl-1-phenylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methyl-2,4-diphenylquinoline
CID 13048584
1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene;6-methyl-1-phenylnaphthalene
CID 157429164
2,7-dimethyl-1,4-diphenylnaphthalene
CID 46919192
7-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 154716816
4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
CID 59171641
2,9-bis(2,5-dimethylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline
CID 70909605
3,5-dimethyl-9-phenylphenanthrene
CID 132535300
1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;3-methyl-1-phenylnaphthalene;6-methyl-1-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene
CID 162049934
1-(3,5-dimethylphenyl)-6-methylnaphthalene
CID 140744317
(4-methyl-2,6-diphenylphenyl)stibane
CID 173432730
N,N,7-trimethyl-4-phenylquinolin-2-amine
CID 164669711
bis(2-methylnaphthalene);2-methyl-6-phenylnaphthalene;6-methyl-1-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene
CID 159938437

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-phenylnaphthalene?
The IUPAC name of 3,6-dimethyl-1-phenylnaphthalene (CID 123256332) is 3,6-dimethyl-1-phenylnaphthalene.
What is the SMILES notation for 3,6-dimethyl-1-phenylnaphthalene?
The canonical SMILES for 3,6-dimethyl-1-phenylnaphthalene is Cc1ccc2c(-c3ccccc3)cc(C)cc2c1.
What is the InChIKey of 3,6-dimethyl-1-phenylnaphthalene?
The InChIKey is LFRPMIPELJZWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16/c1-13-8-9-17-16(10-13)11-14(2)12-18(17)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of 3,6-dimethyl-1-phenylnaphthalene?
3,6-dimethyl-1-phenylnaphthalene has a molecular weight of 232.33 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-phenylnaphthalene is sourced from PubChem (CID 123256332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).