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

C22H22 — CID 22389703

IUPAC2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene
SMILESCc1ccc(C(c2ccccc2)c2ccc(C)cc2C)cc1
InChIInChI=1S/C22H22/c1-16-9-12-20(13-10-16)22(19-7-5-4-6-8-19)21-14-11-17(2)15-18(21)3/h4-15,22H,1-3H3
InChIKeyPRCZKSFSGQESTF-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.79
Rot. Bonds3

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

2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene (PubChem CID 22389703) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene.

Molecular Properties

Compound Name2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene
PubChem CID22389703
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene
SMILESCc1ccc(C(c2ccccc2)c2ccc(C)cc2C)cc1
InChIInChI=1S/C22H22/c1-16-9-12-20(13-10-16)22(19-7-5-4-6-8-19)21-14-11-17(2)15-18(21)3/h4-15,22H,1-3H3
InChIKeyPRCZKSFSGQESTF-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.79
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

1-[(3,4-dimethylphenyl)-phenylmethyl]-2,4-dimethylbenzene
CID 54025745
(2,4-dimethylphenyl)-phenylmethanol
CID 3807153
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-[(2,4-dimethylphenyl)-phenylmethyl]benzamide
CID 174996851
(1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine
CID 81350273
1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 63428656
2-[bis(4-methylphenyl)methyl]-5-methylphenol
CID 21115451
N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685413
1-(2,4-dimethylphenyl)-2-methoxy-2-phenylethanol
CID 116756761
N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine
CID 16773686
2-[1-(2,4-dimethylphenyl)propyl]anthracene
CID 141153672
N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide
CID 95706524

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene?
The IUPAC name of 2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene (CID 22389703) is 2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene.
What is the SMILES notation for 2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene?
The canonical SMILES for 2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene is Cc1ccc(C(c2ccccc2)c2ccc(C)cc2C)cc1.
What is the InChIKey of 2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene?
The InChIKey is PRCZKSFSGQESTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-16-9-12-20(13-10-16)22(19-7-5-4-6-8-19)21-14-11-17(2)15-18(21)3/h4-15,22H,1-3H3.
What are the key properties of 2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene?
2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene has a molecular weight of 286.42 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene is sourced from PubChem (CID 22389703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).