1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene

C32H36 — CID 143079541

IUPAC1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene
SMILESCc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2cccc(C)c2C)cc1C
InChIInChI=1S/2C16H18/c1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-11-8-9-15(10-13(11)3)16-7-5-6-12(2)14(16)4/h2*5-10H,1-4H3
InChIKeyBOFBBWOKIPUQMR-UHFFFAOYSA-N
MW420.64 g/mol
LogP9.17
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene

1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene (PubChem CID 143079541) has the molecular formula C32H36 and a molecular weight of 420.64 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene
PubChem CID143079541
Molecular FormulaC32H36
Molecular Weight420.64 g/mol
Exact Mass420.28
IUPAC Name1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene
SMILESCc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2cccc(C)c2C)cc1C
InChIInChI=1S/2C16H18/c1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-11-8-9-15(10-13(11)3)16-7-5-6-12(2)14(16)4/h2*5-10H,1-4H3
InChIKeyBOFBBWOKIPUQMR-UHFFFAOYSA-N
XLogP9.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,3-dimethylphenyl)-2,3-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;1,2,5,6-tetramethylnaphthalene;1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene
CID 162003142
1,4-bis(4-methylphenyl)benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene
CID 158917367
1,2-dimethyl-3-[2-methyl-5-(2-methylphenyl)phenyl]benzene
CID 123207081
3-(3,4-dimethylphenyl)-N,2-dimethylaniline
CID 123724785
1-[4-(3,4-dimethylphenyl)cyclopenta-1,3-dien-1-yl]-2,3-dimethylbenzene
CID 158379444
1-(4-iodophenyl)-2,3-dimethylbenzene
CID 20871963
azane;2-(2,3-dimethylphenyl)naphthalene
CID 175360237
1-methyl-4-[2-methyl-3-(2-methylphenyl)phenyl]-2-(2-methylphenyl)benzene
CID 144952887
1-(3-fluorophenyl)-2,3-dimethylbenzene
CID 54184747
bis(1,2-dimethyl-4-(2-methylphenyl)benzene);bis(1,2-dimethyl-4-phenylbenzene);1-(3,4-dimethylphenyl)-2,4-dimethylbenzene;bis(1,2,3,5-tetramethylbenzene);1,2,3-trimethylbenzene;bis(1,2,3-trimethyl-5-phenylbenzene)
CID 161130606
1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene
CID 143062787
1-[4-(2,3-dimethylphenyl)phenyl]-2,4-dimethylbenzene
CID 144502475

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene?
The IUPAC name of 1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene (CID 143079541) is 1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene is Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2cccc(C)c2C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene?
The InChIKey is BOFBBWOKIPUQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H18/c1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-11-8-9-15(10-13(11)3)16-7-5-6-12(2)14(16)4/h2*5-10H,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene?
1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene has a molecular weight of 420.64 g/mol, XLogP of 9.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene is sourced from PubChem (CID 143079541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).