1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene

C13H20O2 — CID 23378350

IUPAC1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene
SMILESCOc1ccc(C(C)C(C)C)cc1OC
InChIInChI=1S/C13H20O2/c1-9(2)10(3)11-6-7-12(14-4)13(8-11)15-5/h6-10H,1-5H3
InChIKeyFFLHIRRYBAVOEU-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.46
Rot. Bonds4

About 1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene

1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene (PubChem CID 23378350) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene
PubChem CID23378350
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene
SMILESCOc1ccc(C(C)C(C)C)cc1OC
InChIInChI=1S/C13H20O2/c1-9(2)10(3)11-6-7-12(14-4)13(8-11)15-5/h6-10H,1-5H3
InChIKeyFFLHIRRYBAVOEU-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 6921093
(1R,2S)-1-amino-1-(3,4-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171160772
1,2-dimethoxy-4-[1-(4-methylphenyl)ethyl]benzene
CID 57200665
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine
CID 116720295
4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene
CID 83928870
[1-(3,4-dimethoxyphenyl)-3-methylbutyl]azanium
CID 23378141
4-[1-(3,4-dimethoxyphenyl)ethyl]benzene-1,2-diol
CID 174965052
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene?
The IUPAC name of 1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene (CID 23378350) is 1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene.
What is the SMILES notation for 1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene?
The canonical SMILES for 1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene is COc1ccc(C(C)C(C)C)cc1OC.
What is the InChIKey of 1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene?
The InChIKey is FFLHIRRYBAVOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9(2)10(3)11-6-7-12(14-4)13(8-11)15-5/h6-10H,1-5H3.
What are the key properties of 1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene?
1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene has a molecular weight of 208.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene is sourced from PubChem (CID 23378350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).