2-bromo-4-(3-hydroxypropyl)phenol

C9H11BrO2 — CID 101080758

IUPAC2-bromo-4-(3-hydroxypropyl)phenol
SMILESOCCCc1ccc(O)c(Br)c1
InChIInChI=1S/C9H11BrO2/c10-8-6-7(2-1-5-11)3-4-9(8)12/h3-4,6,11-12H,1-2,5H2
InChIKeyRWKOIZIXUDWXRS-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.08
Rot. Bonds3

About 2-bromo-4-(3-hydroxypropyl)phenol

2-bromo-4-(3-hydroxypropyl)phenol (PubChem CID 101080758) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 2-bromo-4-(3-hydroxypropyl)phenol.

Molecular Properties

Compound Name2-bromo-4-(3-hydroxypropyl)phenol
PubChem CID101080758
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name2-bromo-4-(3-hydroxypropyl)phenol
SMILESOCCCc1ccc(O)c(Br)c1
InChIInChI=1S/C9H11BrO2/c10-8-6-7(2-1-5-11)3-4-9(8)12/h3-4,6,11-12H,1-2,5H2
InChIKeyRWKOIZIXUDWXRS-UHFFFAOYSA-N
XLogP2.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-bromo-4-(difluoromethyl)phenyl]propan-1-ol
CID 117416464
3-(3-bromo-4-cyclopropylsulfanylphenyl)propan-1-ol
CID 117463287
3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol
CID 117400911
3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol
CID 19907378
3-[3-(bromomethyl)phenyl]propan-1-ol
CID 139754880
4-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 64516496
4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 22734658
2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol
CID 114985567
1-(3-bromo-4-hydroxyphenyl)butan-2-one
CID 118284985
3-(3-bromo-4-pyrazol-1-ylphenyl)propan-1-ol
CID 117451056
3-[3-bromo-4-(4-methylpiperazin-1-yl)phenyl]propan-1-ol
CID 117498580
3-(1,2,3-benzothiadiazol-6-yl)propan-1-ol
CID 117284716

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3-hydroxypropyl)phenol?
The IUPAC name of 2-bromo-4-(3-hydroxypropyl)phenol (CID 101080758) is 2-bromo-4-(3-hydroxypropyl)phenol.
What is the SMILES notation for 2-bromo-4-(3-hydroxypropyl)phenol?
The canonical SMILES for 2-bromo-4-(3-hydroxypropyl)phenol is OCCCc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-(3-hydroxypropyl)phenol?
The InChIKey is RWKOIZIXUDWXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c10-8-6-7(2-1-5-11)3-4-9(8)12/h3-4,6,11-12H,1-2,5H2.
What are the key properties of 2-bromo-4-(3-hydroxypropyl)phenol?
2-bromo-4-(3-hydroxypropyl)phenol has a molecular weight of 231.09 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3-hydroxypropyl)phenol is sourced from PubChem (CID 101080758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).