1-(2,3-dimethylpentyl)-4-methylbenzene

C14H22 — CID 91405313

IUPAC1-(2,3-dimethylpentyl)-4-methylbenzene
SMILESCCC(C)C(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H22/c1-5-12(3)13(4)10-14-8-6-11(2)7-9-14/h6-9,12-13H,5,10H2,1-4H3
InChIKeyKOOQXRQWEFLDKK-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.22
Rot. Bonds4

About 1-(2,3-dimethylpentyl)-4-methylbenzene

1-(2,3-dimethylpentyl)-4-methylbenzene (PubChem CID 91405313) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-(2,3-dimethylpentyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(2,3-dimethylpentyl)-4-methylbenzene
PubChem CID91405313
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-(2,3-dimethylpentyl)-4-methylbenzene
SMILESCCC(C)C(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H22/c1-5-12(3)13(4)10-14-8-6-11(2)7-9-14/h6-9,12-13H,5,10H2,1-4H3
InChIKeyKOOQXRQWEFLDKK-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2,3-dimethylpentyl)-4-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
N,2-dimethyl-1-(4-methylphenyl)pentan-3-amine
CID 63561742
3-methyl-4-(4-methylphenyl)butan-2-amine
CID 60996372
formaldehyde;1-methyl-4-(2-methylbutyl)benzene
CID 143236225
[4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol
CID 157214226
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene
CID 20641212
1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene
CID 91475154
4-methyl-3-[(4-methylphenyl)methyl]pentan-2-ol
CID 62916066
1-(2-methoxypropyl)-4-(4-methylphenyl)benzene
CID 145316433
1-[3-(1-fluorobutan-2-yloxy)-2-methylpropyl]-4-methylbenzene
CID 170359359

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpentyl)-4-methylbenzene?
The IUPAC name of 1-(2,3-dimethylpentyl)-4-methylbenzene (CID 91405313) is 1-(2,3-dimethylpentyl)-4-methylbenzene.
What is the SMILES notation for 1-(2,3-dimethylpentyl)-4-methylbenzene?
The canonical SMILES for 1-(2,3-dimethylpentyl)-4-methylbenzene is CCC(C)C(C)Cc1ccc(C)cc1.
What is the InChIKey of 1-(2,3-dimethylpentyl)-4-methylbenzene?
The InChIKey is KOOQXRQWEFLDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-5-12(3)13(4)10-14-8-6-11(2)7-9-14/h6-9,12-13H,5,10H2,1-4H3.
What are the key properties of 1-(2,3-dimethylpentyl)-4-methylbenzene?
1-(2,3-dimethylpentyl)-4-methylbenzene has a molecular weight of 190.33 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpentyl)-4-methylbenzene is sourced from PubChem (CID 91405313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).