1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene

C16H18 — CID 20706895

IUPAC1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
SMILESCc1cccc(Cc2ccc(C)c(C)c2)c1
InChIInChI=1S/C16H18/c1-12-5-4-6-15(9-12)11-16-8-7-13(2)14(3)10-16/h4-10H,11H2,1-3H3
InChIKeyIXMKMIGDHAGFDF-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.20
Rot. Bonds2

About 1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene

1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene (PubChem CID 20706895) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
PubChem CID20706895
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
SMILESCc1cccc(Cc2ccc(C)c(C)c2)c1
InChIInChI=1S/C16H18/c1-12-5-4-6-15(9-12)11-16-8-7-13(2)14(3)10-16/h4-10H,11H2,1-3H3
InChIKeyIXMKMIGDHAGFDF-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-[(3-methylphenyl)methyl]benzene
CID 67156138
1-iodo-3-[(3-methylphenyl)methyl]benzene
CID 155312038
1,4-bis(4-methylphenyl)benzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;2,6-dimethylpyridine
CID 158538111
1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol
CID 63520342
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518
[4-[(3,4-dimethylphenyl)methyl]phenyl]-methyl-(4-methylphenyl)phosphane;1,2,4-trimethylbenzene
CID 143532331
methane;methylbenzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;yttrium
CID 161347564
2-methyl-5-[2-(3-methylphenyl)ethyl]aniline
CID 143291717
bis(1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene);1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene;1-(2,4-dimethylphenyl)-2,3,4-trimethylbenzene
CID 158520206
(E)-4-[3-[(3,4-dimethylphenyl)methyl]phenyl]-N-methylpent-3-en-1-yn-3-amine
CID 144775880
N,3,5-trimethyl-4-[(3-methylphenyl)methyl]aniline
CID 91007722
1-[[3-(3,3-dimethylbutyl)phenyl]methyl]-3-[(3-methylphenyl)methyl]benzene
CID 140940309

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene?
The IUPAC name of 1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene (CID 20706895) is 1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene.
What is the SMILES notation for 1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene?
The canonical SMILES for 1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene is Cc1cccc(Cc2ccc(C)c(C)c2)c1.
What is the InChIKey of 1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene?
The InChIKey is IXMKMIGDHAGFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-12-5-4-6-15(9-12)11-16-8-7-13(2)14(3)10-16/h4-10H,11H2,1-3H3.
What are the key properties of 1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene?
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene has a molecular weight of 210.32 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene is sourced from PubChem (CID 20706895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).