4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene

C40H48 — CID 159618631

IUPAC4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene
SMILESCc1cc(C)c(C)cc1C.Cc1cc2cc(C)c(C)cc2cc1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C16H18.C14H16.C10H14/c1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-9-5-13-7-11(3)12(4)8-14(13)6-10(9)2;1-7-5-9(3)10(4)6-8(7)2/h5-10H,1-4H3;5-8H,1-4H3;5-6H,1-4H3
InChIKeyMNPKVFXZUSNIGI-UHFFFAOYSA-N
MW528.82 g/mol
LogP11.58
Rot. Bonds1

About 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene

4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene (PubChem CID 159618631) has the molecular formula C40H48 and a molecular weight of 528.82 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene
PubChem CID159618631
Molecular FormulaC40H48
Molecular Weight528.82 g/mol
Exact Mass528.38
IUPAC Name4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene
SMILESCc1cc(C)c(C)cc1C.Cc1cc2cc(C)c(C)cc2cc1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C16H18.C14H16.C10H14/c1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-9-5-13-7-11(3)12(4)8-14(13)6-10(9)2;1-7-5-9(3)10(4)6-8(7)2/h5-10H,1-4H3;5-8H,1-4H3;5-6H,1-4H3
InChIKeyMNPKVFXZUSNIGI-UHFFFAOYSA-N
XLogP11.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.82
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene 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 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene?
The IUPAC name of 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene (CID 159618631) is 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene?
The canonical SMILES for 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene is Cc1cc(C)c(C)cc1C.Cc1cc2cc(C)c(C)cc2cc1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene?
The InChIKey is MNPKVFXZUSNIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.C14H16.C10H14/c1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-9-5-13-7-11(3)12(4)8-14(13)6-10(9)2;1-7-5-9(3)10(4)6-8(7)2/h5-10H,1-4H3;5-8H,1-4H3;5-6H,1-4H3.
What are the key properties of 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene?
4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene has a molecular weight of 528.82 g/mol, XLogP of 11.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene is sourced from PubChem (CID 159618631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).