1-[(3,4-dimethylphenyl)-phenylmethyl]-2,4-dimethylbenzene

C23H24 — CID 54025745

IUPAC1-[(3,4-dimethylphenyl)-phenylmethyl]-2,4-dimethylbenzene
SMILESCc1ccc(C(c2ccccc2)c2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C23H24/c1-16-10-13-22(19(4)14-16)23(20-8-6-5-7-9-20)21-12-11-17(2)18(3)15-21/h5-15,23H,1-4H3
InChIKeyAOQHQXDVYOTZJT-UHFFFAOYSA-N
MW300.44 g/mol
LogP6.10
Rot. Bonds3

About 1-[(3,4-dimethylphenyl)-phenylmethyl]-2,4-dimethylbenzene

1-[(3,4-dimethylphenyl)-phenylmethyl]-2,4-dimethylbenzene (PubChem CID 54025745) has the molecular formula C23H24 and a molecular weight of 300.44 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)-phenylmethyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)-phenylmethyl]-2,4-dimethylbenzene
PubChem CID54025745
Molecular FormulaC23H24
Molecular Weight300.44 g/mol
Exact Mass300.19
IUPAC Name1-[(3,4-dimethylphenyl)-phenylmethyl]-2,4-dimethylbenzene
SMILESCc1ccc(C(c2ccccc2)c2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C23H24/c1-16-10-13-22(19(4)14-16)23(20-8-6-5-7-9-20)21-12-11-17(2)18(3)15-21/h5-15,23H,1-4H3
InChIKeyAOQHQXDVYOTZJT-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.44
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene
CID 22389703
N-(3,5-dimethylphenyl)-N-[4-[[4-[(2,4-dimethylphenyl)-phenylmethyl]-3-methylphenyl]-[4-(N-phenylanilino)phenyl]methyl]phenyl]-3,5-dimethylaniline
CID 155208191
(2,4-dimethylphenyl)-phenylmethanol
CID 3807153
2-[(2,4-dimethylphenyl)-phenylmethyl]benzamide
CID 174996851
1,2,4-trimethylbenzene
CID 7247
1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene
CID 162074813
(1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine
CID 81350273
toluene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161480766
CID 172709280
CID 172709280
4-[(4-aminophenyl)-(3,4-dimethylphenyl)methyl]aniline
CID 146638185
1-(2,4-dimethylphenyl)-2-methoxy-2-phenylethanol
CID 116756761
1,2-dimethyl-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene
CID 158669113

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)-phenylmethyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[(3,4-dimethylphenyl)-phenylmethyl]-2,4-dimethylbenzene (CID 54025745) is 1-[(3,4-dimethylphenyl)-phenylmethyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)-phenylmethyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[(3,4-dimethylphenyl)-phenylmethyl]-2,4-dimethylbenzene is Cc1ccc(C(c2ccccc2)c2ccc(C)c(C)c2)c(C)c1.
What is the InChIKey of 1-[(3,4-dimethylphenyl)-phenylmethyl]-2,4-dimethylbenzene?
The InChIKey is AOQHQXDVYOTZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24/c1-16-10-13-22(19(4)14-16)23(20-8-6-5-7-9-20)21-12-11-17(2)18(3)15-21/h5-15,23H,1-4H3.
What are the key properties of 1-[(3,4-dimethylphenyl)-phenylmethyl]-2,4-dimethylbenzene?
1-[(3,4-dimethylphenyl)-phenylmethyl]-2,4-dimethylbenzene has a molecular weight of 300.44 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)-phenylmethyl]-2,4-dimethylbenzene is sourced from PubChem (CID 54025745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).