2-(2-methylphenyl)-1,3,5-tripropylbenzene

C22H30 — CID 90909135

IUPAC2-(2-methylphenyl)-1,3,5-tripropylbenzene
SMILESCCCc1cc(CCC)c(-c2ccccc2C)c(CCC)c1
InChIInChI=1S/C22H30/c1-5-10-18-15-19(11-6-2)22(20(16-18)12-7-3)21-14-9-8-13-17(21)4/h8-9,13-16H,5-7,10-12H2,1-4H3
InChIKeyMKVMCMZHHCHXLE-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.52
Rot. Bonds7

About 2-(2-methylphenyl)-1,3,5-tripropylbenzene

2-(2-methylphenyl)-1,3,5-tripropylbenzene (PubChem CID 90909135) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1,3,5-tripropylbenzene.

Molecular Properties

Compound Name2-(2-methylphenyl)-1,3,5-tripropylbenzene
PubChem CID90909135
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name2-(2-methylphenyl)-1,3,5-tripropylbenzene
SMILESCCCc1cc(CCC)c(-c2ccccc2C)c(CCC)c1
InChIInChI=1S/C22H30/c1-5-10-18-15-19(11-6-2)22(20(16-18)12-7-3)21-14-9-8-13-17(21)4/h8-9,13-16H,5-7,10-12H2,1-4H3
InChIKeyMKVMCMZHHCHXLE-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[2-(2,4,6-tripropylphenyl)phenyl]phosphane
CID 68965585
2-phenyl-1,3,5-tripropylbenzene
CID 91174687
bis(2-methylpropyl)-[2-(2,4,6-tripropylphenyl)phenyl]phosphane
CID 126673786
1-methyl-2-(3-propylphenyl)benzene
CID 143365994
1-methyl-2,3-bis(2-propylphenyl)benzene
CID 123997531
2,4-dimethyl-1-(2-propylphenyl)benzene
CID 123254969
1,4-bis[(2-methylphenyl)methyl]-2-propylbenzene
CID 22919653
2,4-diethyl-1-(2-methylphenyl)benzene
CID 142070386
(8S)-3,8-dimethyl-5,12,14-tripropyltetracyclo[14.3.1.02,7.010,15]icosa-1(20),2(7),3,5,10(15),11,13,16,18-nonaen-20-ol
CID 145234694
(2,4,6-tripropylphenyl)phosphane
CID 158148560
1-(2,4-dipropylphenyl)-3,5-dipropylbenzene
CID 174954649
2-[3-butyl-2-(2-carboxyphenyl)-4,6-dipropylphenyl]benzoic acid
CID 152612531

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1,3,5-tripropylbenzene?
The IUPAC name of 2-(2-methylphenyl)-1,3,5-tripropylbenzene (CID 90909135) is 2-(2-methylphenyl)-1,3,5-tripropylbenzene.
What is the SMILES notation for 2-(2-methylphenyl)-1,3,5-tripropylbenzene?
The canonical SMILES for 2-(2-methylphenyl)-1,3,5-tripropylbenzene is CCCc1cc(CCC)c(-c2ccccc2C)c(CCC)c1.
What is the InChIKey of 2-(2-methylphenyl)-1,3,5-tripropylbenzene?
The InChIKey is MKVMCMZHHCHXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-5-10-18-15-19(11-6-2)22(20(16-18)12-7-3)21-14-9-8-13-17(21)4/h8-9,13-16H,5-7,10-12H2,1-4H3.
What are the key properties of 2-(2-methylphenyl)-1,3,5-tripropylbenzene?
2-(2-methylphenyl)-1,3,5-tripropylbenzene has a molecular weight of 294.48 g/mol, XLogP of 6.52, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1,3,5-tripropylbenzene is sourced from PubChem (CID 90909135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).