2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene

C22H22 — CID 163504476

IUPAC2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene
SMILESCc1cc(-c2ccccc2)ccc1-c1cccc(C(C)C)c1
InChIInChI=1S/C22H22/c1-16(2)19-10-7-11-21(15-19)22-13-12-20(14-17(22)3)18-8-5-4-6-9-18/h4-16H,1-3H3
InChIKeyZFEFSMHHKNFDCQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP6.45
Rot. Bonds3

About 2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene

2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene (PubChem CID 163504476) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene
PubChem CID163504476
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene
SMILESCc1cc(-c2ccccc2)ccc1-c1cccc(C(C)C)c1
InChIInChI=1S/C22H22/c1-16(2)19-10-7-11-21(15-19)22-13-12-20(14-17(22)3)18-8-5-4-6-9-18/h4-16H,1-3H3
InChIKeyZFEFSMHHKNFDCQ-UHFFFAOYSA-N
XLogP6.45
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 ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739
4-tert-butyl-2-methyl-1-(3-propan-2-ylphenyl)benzene
CID 165380290
2-[2-methyl-4-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]triphenylene
CID 123442810
2-methyl-1-phenyl-4-(2-phenylphenyl)benzene
CID 59171665
2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene
CID 162497500
1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene
CID 58881209
4-methyl-1-phenyl-6-propan-2-ylnaphthalene
CID 157491424
2-methyl-6-(3-propan-2-ylphenyl)aniline
CID 172649943
1-fluoro-2-(3-propan-2-ylphenyl)benzene
CID 20871867
1-methoxy-4-(3-propan-2-ylphenyl)benzene
CID 20871880
2-(3-propan-2-ylphenyl)anthracene
CID 175212128
[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]methanol
CID 172876842

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene?
The IUPAC name of 2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene (CID 163504476) is 2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene.
What is the SMILES notation for 2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene?
The canonical SMILES for 2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene is Cc1cc(-c2ccccc2)ccc1-c1cccc(C(C)C)c1.
What is the InChIKey of 2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene?
The InChIKey is ZFEFSMHHKNFDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-16(2)19-10-7-11-21(15-19)22-13-12-20(14-17(22)3)18-8-5-4-6-9-18/h4-16H,1-3H3.
What are the key properties of 2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene?
2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene has a molecular weight of 286.42 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene is sourced from PubChem (CID 163504476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).