3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol

C11H15BrO4 — CID 72942691

IUPAC3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
SMILESCOc1cc(CCCO)c(Br)c(CO)c1O
InChIInChI=1S/C11H15BrO4/c1-16-9-5-7(3-2-4-13)10(12)8(6-14)11(9)15/h5,13-15H,2-4,6H2,1H3
InChIKeyKLENAVABYVNIMM-UHFFFAOYSA-N
MW291.14 g/mol
LogP1.58
Rot. Bonds5

About 3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol

3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol (PubChem CID 72942691) has the molecular formula C11H15BrO4 and a molecular weight of 291.14 g/mol. Its IUPAC name is 3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol.

Molecular Properties

Compound Name3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
PubChem CID72942691
Molecular FormulaC11H15BrO4
Molecular Weight291.14 g/mol
Exact Mass290.02
IUPAC Name3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
SMILESCOc1cc(CCCO)c(Br)c(CO)c1O
InChIInChI=1S/C11H15BrO4/c1-16-9-5-7(3-2-4-13)10(12)8(6-14)11(9)15/h5,13-15H,2-4,6H2,1H3
InChIKeyKLENAVABYVNIMM-UHFFFAOYSA-N
XLogP1.58
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol
CID 84710429
2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol
CID 117447283
3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol
CID 117363864
2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol
CID 117300572
2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
CID 162036765
(2-bromo-3-ethyl-5,6-dimethoxyphenyl)methanol
CID 84714156
5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol
CID 117308657
4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol
CID 117380249
4-hydroxy-5-(3-hydroxypropyl)-2-methoxybenzoic acid
CID 117325025
3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol
CID 170887561
2-fluoro-5-(3-hydroxypropyl)-4-methoxyphenol
CID 117289231
4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol
CID 149144682

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol?
The IUPAC name of 3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol (CID 72942691) is 3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol.
What is the SMILES notation for 3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol?
The canonical SMILES for 3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol is COc1cc(CCCO)c(Br)c(CO)c1O.
What is the InChIKey of 3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol?
The InChIKey is KLENAVABYVNIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO4/c1-16-9-5-7(3-2-4-13)10(12)8(6-14)11(9)15/h5,13-15H,2-4,6H2,1H3.
What are the key properties of 3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol?
3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol has a molecular weight of 291.14 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol is sourced from PubChem (CID 72942691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).