1-butan-2-yl-5-methoxy-2,4-dimethylbenzene

C13H20O — CID 144980692

IUPAC1-butan-2-yl-5-methoxy-2,4-dimethylbenzene
SMILESCCC(C)c1cc(OC)c(C)cc1C
InChIInChI=1S/C13H20O/c1-6-9(2)12-8-13(14-5)11(4)7-10(12)3/h7-9H,6H2,1-5H3
InChIKeyAASYQUPSNVDNBJ-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.83
Rot. Bonds3

About 1-butan-2-yl-5-methoxy-2,4-dimethylbenzene

1-butan-2-yl-5-methoxy-2,4-dimethylbenzene (PubChem CID 144980692) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-butan-2-yl-5-methoxy-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-butan-2-yl-5-methoxy-2,4-dimethylbenzene
PubChem CID144980692
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-butan-2-yl-5-methoxy-2,4-dimethylbenzene
SMILESCCC(C)c1cc(OC)c(C)cc1C
InChIInChI=1S/C13H20O/c1-6-9(2)12-8-13(14-5)11(4)7-10(12)3/h7-9H,6H2,1-5H3
InChIKeyAASYQUPSNVDNBJ-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-butan-2-yl-5-methoxy-2,4-dimethylbenzene 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

3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547
1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 10703654
1-butan-2-yl-4-fluoro-2-methoxy-5-methylbenzene;ethane
CID 145090186
1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene
CID 61097408
2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine
CID 83927774
2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077546
2-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 82077691
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol
CID 113370104
2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 112510505

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-methoxy-2,4-dimethylbenzene?
The IUPAC name of 1-butan-2-yl-5-methoxy-2,4-dimethylbenzene (CID 144980692) is 1-butan-2-yl-5-methoxy-2,4-dimethylbenzene.
What is the SMILES notation for 1-butan-2-yl-5-methoxy-2,4-dimethylbenzene?
The canonical SMILES for 1-butan-2-yl-5-methoxy-2,4-dimethylbenzene is CCC(C)c1cc(OC)c(C)cc1C.
What is the InChIKey of 1-butan-2-yl-5-methoxy-2,4-dimethylbenzene?
The InChIKey is AASYQUPSNVDNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-6-9(2)12-8-13(14-5)11(4)7-10(12)3/h7-9H,6H2,1-5H3.
What are the key properties of 1-butan-2-yl-5-methoxy-2,4-dimethylbenzene?
1-butan-2-yl-5-methoxy-2,4-dimethylbenzene has a molecular weight of 192.30 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-methoxy-2,4-dimethylbenzene is sourced from PubChem (CID 144980692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).