1-methyl-2,3-bis(2-propylphenyl)benzene

C25H28 — CID 123997531

IUPAC1-methyl-2,3-bis(2-propylphenyl)benzene
SMILESCCCc1ccccc1-c1cccc(C)c1-c1ccccc1CCC
InChIInChI=1S/C25H28/c1-4-11-20-14-6-8-16-22(20)24-18-10-13-19(3)25(24)23-17-9-7-15-21(23)12-5-2/h6-10,13-18H,4-5,11-12H2,1-3H3
InChIKeyCNZHFSAXLJGMIC-UHFFFAOYSA-N
MW328.50 g/mol
LogP7.23
Rot. Bonds6

About 1-methyl-2,3-bis(2-propylphenyl)benzene

1-methyl-2,3-bis(2-propylphenyl)benzene (PubChem CID 123997531) has the molecular formula C25H28 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-methyl-2,3-bis(2-propylphenyl)benzene.

Molecular Properties

Compound Name1-methyl-2,3-bis(2-propylphenyl)benzene
PubChem CID123997531
Molecular FormulaC25H28
Molecular Weight328.50 g/mol
Exact Mass328.22
IUPAC Name1-methyl-2,3-bis(2-propylphenyl)benzene
SMILESCCCc1ccccc1-c1cccc(C)c1-c1ccccc1CCC
InChIInChI=1S/C25H28/c1-4-11-20-14-6-8-16-22(20)24-18-10-13-19(3)25(24)23-17-9-7-15-21(23)12-5-2/h6-10,13-18H,4-5,11-12H2,1-3H3
InChIKeyCNZHFSAXLJGMIC-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene
CID 173365962
1-bromo-2-methyl-3-(2-propylphenyl)benzene
CID 156726289
2,4-dimethyl-1-(2-propylphenyl)benzene
CID 123254969
1-fluoro-2-(2-propylphenyl)benzene
CID 154059621
2-fluoro-1-methyl-3-propylbenzene
CID 54557935
2-(2,3-dipropylphenyl)aniline
CID 150874866
2-(2-methylphenyl)-1,3,5-tripropylbenzene
CID 90909135
4-(2-butylphenyl)-2,5-dimethylaniline
CID 69135877
ethane;1-methyl-3-(2-propylphenyl)benzene
CID 145018385
9-(2-propylphenyl)acridine
CID 150145434
1,7-dimethyl-2-(2-propylphenyl)-1H-indene
CID 91805526
1-(bromomethyl)-3-methyl-2-(2-methylphenyl)benzene
CID 152616101

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-bis(2-propylphenyl)benzene?
The IUPAC name of 1-methyl-2,3-bis(2-propylphenyl)benzene (CID 123997531) is 1-methyl-2,3-bis(2-propylphenyl)benzene.
What is the SMILES notation for 1-methyl-2,3-bis(2-propylphenyl)benzene?
The canonical SMILES for 1-methyl-2,3-bis(2-propylphenyl)benzene is CCCc1ccccc1-c1cccc(C)c1-c1ccccc1CCC.
What is the InChIKey of 1-methyl-2,3-bis(2-propylphenyl)benzene?
The InChIKey is CNZHFSAXLJGMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28/c1-4-11-20-14-6-8-16-22(20)24-18-10-13-19(3)25(24)23-17-9-7-15-21(23)12-5-2/h6-10,13-18H,4-5,11-12H2,1-3H3.
What are the key properties of 1-methyl-2,3-bis(2-propylphenyl)benzene?
1-methyl-2,3-bis(2-propylphenyl)benzene has a molecular weight of 328.50 g/mol, XLogP of 7.23, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-bis(2-propylphenyl)benzene is sourced from PubChem (CID 123997531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).