2-bromo-3-(1-hydroxypropyl)-6-methoxyphenol

C10H13BrO3 — CID 83951172

IUPAC2-bromo-3-(1-hydroxypropyl)-6-methoxyphenol
SMILESCCC(O)c1ccc(OC)c(O)c1Br
InChIInChI=1S/C10H13BrO3/c1-3-7(12)6-4-5-8(14-2)10(13)9(6)11/h4-5,7,12-13H,3H2,1-2H3
InChIKeyCXHPWGASQRIKIM-UHFFFAOYSA-N
MW261.12 g/mol
LogP2.61
Rot. Bonds3

About 2-bromo-3-(1-hydroxypropyl)-6-methoxyphenol

2-bromo-3-(1-hydroxypropyl)-6-methoxyphenol (PubChem CID 83951172) has the molecular formula C10H13BrO3 and a molecular weight of 261.12 g/mol. Its IUPAC name is 2-bromo-3-(1-hydroxypropyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-3-(1-hydroxypropyl)-6-methoxyphenol
PubChem CID83951172
Molecular FormulaC10H13BrO3
Molecular Weight261.12 g/mol
Exact Mass260.00
IUPAC Name2-bromo-3-(1-hydroxypropyl)-6-methoxyphenol
SMILESCCC(O)c1ccc(OC)c(O)c1Br
InChIInChI=1S/C10H13BrO3/c1-3-7(12)6-4-5-8(14-2)10(13)9(6)11/h4-5,7,12-13H,3H2,1-2H3
InChIKeyCXHPWGASQRIKIM-UHFFFAOYSA-N
XLogP2.61
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-3-hydroxy-4-methoxyphenyl)-2-hydroxyacetonitrile
CID 14020190
1-(4,5,8-trimethoxynaphthalen-1-yl)propan-1-ol
CID 139659328
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
2-bromo-3-chloro-6-methoxyphenol
CID 84700321
1-(5-ethoxy-2-methoxyphenyl)propan-1-ol
CID 82265613
(1S)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]propan-1-ol
CID 103960654
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol
CID 61101002
2-(hydroxymethyl)-6-methoxy-3-propan-2-ylphenol
CID 84666960
2-(2-bromo-3,4-dimethoxyphenyl)pentane-1,3-diol
CID 141267189
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(1-hydroxypropyl)-6-methoxyphenol?
The IUPAC name of 2-bromo-3-(1-hydroxypropyl)-6-methoxyphenol (CID 83951172) is 2-bromo-3-(1-hydroxypropyl)-6-methoxyphenol.
What is the SMILES notation for 2-bromo-3-(1-hydroxypropyl)-6-methoxyphenol?
The canonical SMILES for 2-bromo-3-(1-hydroxypropyl)-6-methoxyphenol is CCC(O)c1ccc(OC)c(O)c1Br.
What is the InChIKey of 2-bromo-3-(1-hydroxypropyl)-6-methoxyphenol?
The InChIKey is CXHPWGASQRIKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO3/c1-3-7(12)6-4-5-8(14-2)10(13)9(6)11/h4-5,7,12-13H,3H2,1-2H3.
What are the key properties of 2-bromo-3-(1-hydroxypropyl)-6-methoxyphenol?
2-bromo-3-(1-hydroxypropyl)-6-methoxyphenol has a molecular weight of 261.12 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(1-hydroxypropyl)-6-methoxyphenol is sourced from PubChem (CID 83951172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).