1-methyl-4-phenyl-2-(4-propylphenyl)benzene

C22H22 — CID 123627409

IUPAC1-methyl-4-phenyl-2-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2cc(-c3ccccc3)ccc2C)cc1
InChIInChI=1S/C22H22/c1-3-7-18-11-14-20(15-12-18)22-16-21(13-10-17(22)2)19-8-5-4-6-9-19/h4-6,8-16H,3,7H2,1-2H3
InChIKeyVREOPVVSEOSRDN-UHFFFAOYSA-N
MW286.42 g/mol
LogP6.28
Rot. Bonds4

About 1-methyl-4-phenyl-2-(4-propylphenyl)benzene

1-methyl-4-phenyl-2-(4-propylphenyl)benzene (PubChem CID 123627409) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-methyl-4-phenyl-2-(4-propylphenyl)benzene.

Molecular Properties

Compound Name1-methyl-4-phenyl-2-(4-propylphenyl)benzene
PubChem CID123627409
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name1-methyl-4-phenyl-2-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2cc(-c3ccccc3)ccc2C)cc1
InChIInChI=1S/C22H22/c1-3-7-18-11-14-20(15-12-18)22-16-21(13-10-17(22)2)19-8-5-4-6-9-19/h4-6,8-16H,3,7H2,1-2H3
InChIKeyVREOPVVSEOSRDN-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-(4-methylphenyl)-2-phenylbenzene
CID 18683184
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088
magnesium;1-phenyl-4-propylbenzene;bromide
CID 172966719
[4-methyl-3-(4-phenylphenyl)phenyl]methanamine
CID 105408962
1-methyl-3-[4-(4-propylphenyl)phenyl]benzene
CID 123480159
CID 175306290
CID 175306290
2-ethyl-1-methyl-4-(4-propylphenyl)benzene
CID 123879424
2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 59933450
[3-(4-propylphenyl)phenyl]methanol
CID 1393732
1-phenyl-3-propylbenzene
CID 4110465
ethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene
CID 144519167
1-methyl-4-(4-propylphenyl)benzene
CID 157416879

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-2-(4-propylphenyl)benzene?
The IUPAC name of 1-methyl-4-phenyl-2-(4-propylphenyl)benzene (CID 123627409) is 1-methyl-4-phenyl-2-(4-propylphenyl)benzene.
What is the SMILES notation for 1-methyl-4-phenyl-2-(4-propylphenyl)benzene?
The canonical SMILES for 1-methyl-4-phenyl-2-(4-propylphenyl)benzene is CCCc1ccc(-c2cc(-c3ccccc3)ccc2C)cc1.
What is the InChIKey of 1-methyl-4-phenyl-2-(4-propylphenyl)benzene?
The InChIKey is VREOPVVSEOSRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-3-7-18-11-14-20(15-12-18)22-16-21(13-10-17(22)2)19-8-5-4-6-9-19/h4-6,8-16H,3,7H2,1-2H3.
What are the key properties of 1-methyl-4-phenyl-2-(4-propylphenyl)benzene?
1-methyl-4-phenyl-2-(4-propylphenyl)benzene has a molecular weight of 286.42 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-2-(4-propylphenyl)benzene is sourced from PubChem (CID 123627409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).