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

C11H15BrO3 — CID 117439719

IUPAC2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol
SMILESCOc1cc(Br)cc(C(C)CO)c1OC
InChIInChI=1S/C11H15BrO3/c1-7(6-13)9-4-8(12)5-10(14-2)11(9)15-3/h4-5,7,13H,6H2,1-3H3
InChIKeyFTMBEAGKKBETPH-UHFFFAOYSA-N
MW275.14 g/mol
LogP2.56
Rot. Bonds4

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

2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol (PubChem CID 117439719) has the molecular formula C11H15BrO3 and a molecular weight of 275.14 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol
PubChem CID117439719
Molecular FormulaC11H15BrO3
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol
SMILESCOc1cc(Br)cc(C(C)CO)c1OC
InChIInChI=1S/C11H15BrO3/c1-7(6-13)9-4-8(12)5-10(14-2)11(9)15-3/h4-5,7,13H,6H2,1-3H3
InChIKeyFTMBEAGKKBETPH-UHFFFAOYSA-N
XLogP2.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzonitrile
CID 117315562
2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol
CID 117384454
2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-1-ol
CID 117353542
1-(5-bromo-2,3-dimethoxyphenyl)butan-1-ol
CID 83951303
2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439713
2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol
CID 117467054
6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol
CID 117303009
2-(2-bromo-3,4-dimethoxy-6-methylphenyl)propan-1-ol
CID 117467053
2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol
CID 117363900
magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride
CID 173037834
2-(5-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117488073
2-(5-bromo-2,3-dimethylphenyl)propan-1-ol
CID 117359066

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol (CID 117439719) is 2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol is COc1cc(Br)cc(C(C)CO)c1OC.
What is the InChIKey of 2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol?
The InChIKey is FTMBEAGKKBETPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3/c1-7(6-13)9-4-8(12)5-10(14-2)11(9)15-3/h4-5,7,13H,6H2,1-3H3.
What are the key properties of 2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol?
2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol has a molecular weight of 275.14 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 117439719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).