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

C9H11BrO2 — CID 66845048

IUPAC4-bromo-3-(3-hydroxypropyl)phenol
SMILESOCCCc1cc(O)ccc1Br
InChIInChI=1S/C9H11BrO2/c10-9-4-3-8(12)6-7(9)2-1-5-11/h3-4,6,11-12H,1-2,5H2
InChIKeyLLXXGAZBLQGGBZ-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.08
Rot. Bonds3

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

4-bromo-3-(3-hydroxypropyl)phenol (PubChem CID 66845048) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 4-bromo-3-(3-hydroxypropyl)phenol.

Molecular Properties

Compound Name4-bromo-3-(3-hydroxypropyl)phenol
PubChem CID66845048
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name4-bromo-3-(3-hydroxypropyl)phenol
SMILESOCCCc1cc(O)ccc1Br
InChIInChI=1S/C9H11BrO2/c10-9-4-3-8(12)6-7(9)2-1-5-11/h3-4,6,11-12H,1-2,5H2
InChIKeyLLXXGAZBLQGGBZ-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

4-bromo-3-hexylphenol
CID 15007737
2-(3-hydroxypropyl)benzene-1,4-diol
CID 19362191
3-amino-4-(3-hydroxypropyl)phenol
CID 67360717
4-(3-hydroxypropyl)-3-methylphenol
CID 117276402
2-(2-bromo-5-hydroxyphenyl)acetic acid
CID 57257821
3-bromo-4-butylphenol
CID 20571557
4-bromo-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenol
CID 103816362
5-hydroxy-2-(3-hydroxypropyl)benzaldehyde
CID 117278294
4-bromo-3-prop-2-enylphenol
CID 59860912
4-bromo-3-(2-hydroxypropyl)phenol
CID 117333494
3-bromo-4-(hydroxymethyl)phenol
CID 54447662
3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol
CID 23353932

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(3-hydroxypropyl)phenol?
The IUPAC name of 4-bromo-3-(3-hydroxypropyl)phenol (CID 66845048) is 4-bromo-3-(3-hydroxypropyl)phenol.
What is the SMILES notation for 4-bromo-3-(3-hydroxypropyl)phenol?
The canonical SMILES for 4-bromo-3-(3-hydroxypropyl)phenol is OCCCc1cc(O)ccc1Br.
What is the InChIKey of 4-bromo-3-(3-hydroxypropyl)phenol?
The InChIKey is LLXXGAZBLQGGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c10-9-4-3-8(12)6-7(9)2-1-5-11/h3-4,6,11-12H,1-2,5H2.
What are the key properties of 4-bromo-3-(3-hydroxypropyl)phenol?
4-bromo-3-(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 4-bromo-3-(3-hydroxypropyl)phenol is sourced from PubChem (CID 66845048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).