1-(5-bromo-2,3-dimethoxyphenyl)butan-1-ol

C12H17BrO3 — CID 83951303

IUPAC1-(5-bromo-2,3-dimethoxyphenyl)butan-1-ol
SMILESCCCC(O)c1cc(Br)cc(OC)c1OC
InChIInChI=1S/C12H17BrO3/c1-4-5-10(14)9-6-8(13)7-11(15-2)12(9)16-3/h6-7,10,14H,4-5H2,1-3H3
InChIKeyGSHIJYLPGPBFIY-UHFFFAOYSA-N
MW289.17 g/mol
LogP3.30
Rot. Bonds5

About 1-(5-bromo-2,3-dimethoxyphenyl)butan-1-ol

1-(5-bromo-2,3-dimethoxyphenyl)butan-1-ol (PubChem CID 83951303) has the molecular formula C12H17BrO3 and a molecular weight of 289.17 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dimethoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2,3-dimethoxyphenyl)butan-1-ol
PubChem CID83951303
Molecular FormulaC12H17BrO3
Molecular Weight289.17 g/mol
Exact Mass288.04
IUPAC Name1-(5-bromo-2,3-dimethoxyphenyl)butan-1-ol
SMILESCCCC(O)c1cc(Br)cc(OC)c1OC
InChIInChI=1S/C12H17BrO3/c1-4-5-10(14)9-6-8(13)7-11(15-2)12(9)16-3/h6-7,10,14H,4-5H2,1-3H3
InChIKeyGSHIJYLPGPBFIY-UHFFFAOYSA-N
XLogP3.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methoxyphenyl)butan-1-ol
CID 115780858
1-(1,4,5,8-tetramethoxyanthracen-2-yl)butan-1-ol
CID 142627073
2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439719
1-(4-bromo-2-methoxyphenyl)pentan-1-ol
CID 115783251
magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride
CID 173037834
1-(5-bromo-2-methoxyphenyl)-4-ethylsulfonylbutan-1-ol
CID 65145596
1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol
CID 61099300
(1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 93189097
(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012
1-(3,5-dibromophenyl)butan-1-ol
CID 107978200
1-(2-bromo-4,5-dimethylphenyl)butan-1-ol
CID 83988264
(1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 97293367

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dimethoxyphenyl)butan-1-ol?
The IUPAC name of 1-(5-bromo-2,3-dimethoxyphenyl)butan-1-ol (CID 83951303) is 1-(5-bromo-2,3-dimethoxyphenyl)butan-1-ol.
What is the SMILES notation for 1-(5-bromo-2,3-dimethoxyphenyl)butan-1-ol?
The canonical SMILES for 1-(5-bromo-2,3-dimethoxyphenyl)butan-1-ol is CCCC(O)c1cc(Br)cc(OC)c1OC.
What is the InChIKey of 1-(5-bromo-2,3-dimethoxyphenyl)butan-1-ol?
The InChIKey is GSHIJYLPGPBFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO3/c1-4-5-10(14)9-6-8(13)7-11(15-2)12(9)16-3/h6-7,10,14H,4-5H2,1-3H3.
What are the key properties of 1-(5-bromo-2,3-dimethoxyphenyl)butan-1-ol?
1-(5-bromo-2,3-dimethoxyphenyl)butan-1-ol has a molecular weight of 289.17 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dimethoxyphenyl)butan-1-ol is sourced from PubChem (CID 83951303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).