4-butan-2-yl-1,2-dimethoxybenzene

C24H36O4 — CID 54391207

IUPAC4-butan-2-yl-1,2-dimethoxybenzene
SMILESCCC(C)c1ccc(OC)c(OC)c1.CCC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/2C12H18O2/c2*1-5-9(2)10-6-7-11(13-3)12(8-10)14-4/h2*6-9H,5H2,1-4H3
InChIKeyVGTLETQEEIIZDB-UHFFFAOYSA-N
MW388.55 g/mol
LogP6.43
Rot. Bonds8

About 4-butan-2-yl-1,2-dimethoxybenzene

4-butan-2-yl-1,2-dimethoxybenzene (PubChem CID 54391207) has the molecular formula C24H36O4 and a molecular weight of 388.55 g/mol. Its IUPAC name is 4-butan-2-yl-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-butan-2-yl-1,2-dimethoxybenzene
PubChem CID54391207
Molecular FormulaC24H36O4
Molecular Weight388.55 g/mol
Exact Mass388.26
IUPAC Name4-butan-2-yl-1,2-dimethoxybenzene
SMILESCCC(C)c1ccc(OC)c(OC)c1.CCC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/2C12H18O2/c2*1-5-9(2)10-6-7-11(13-3)12(8-10)14-4/h2*6-9H,5H2,1-4H3
InChIKeyVGTLETQEEIIZDB-UHFFFAOYSA-N
XLogP6.43
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207
1-(5-butan-2-yl-2-methoxyphenyl)ethanamine
CID 4319802
1-bromo-4-butan-2-yl-2-methoxybenzene;ethane
CID 166461083
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene
CID 83928870
5-(3,4-dimethoxyphenyl)hexan-2-amine
CID 83928848
4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 22202165
2-[2-(3,4-dimethoxyphenyl)propyl]-3-ethyloxirane
CID 83928875
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-1,2-dimethoxybenzene?
The IUPAC name of 4-butan-2-yl-1,2-dimethoxybenzene (CID 54391207) is 4-butan-2-yl-1,2-dimethoxybenzene.
What is the SMILES notation for 4-butan-2-yl-1,2-dimethoxybenzene?
The canonical SMILES for 4-butan-2-yl-1,2-dimethoxybenzene is CCC(C)c1ccc(OC)c(OC)c1.CCC(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-butan-2-yl-1,2-dimethoxybenzene?
The InChIKey is VGTLETQEEIIZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18O2/c2*1-5-9(2)10-6-7-11(13-3)12(8-10)14-4/h2*6-9H,5H2,1-4H3.
What are the key properties of 4-butan-2-yl-1,2-dimethoxybenzene?
4-butan-2-yl-1,2-dimethoxybenzene has a molecular weight of 388.55 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-1,2-dimethoxybenzene is sourced from PubChem (CID 54391207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).