3-bromo-4-(hydroxymethyl)phenol

C7H7BrO2 — CID 54447662

IUPAC3-bromo-4-(hydroxymethyl)phenol
SMILESOCc1ccc(O)cc1Br
InChIInChI=1S/C7H7BrO2/c8-7-3-6(10)2-1-5(7)4-9/h1-3,9-10H,4H2
InChIKeyWSRHRQCZRFLQMS-UHFFFAOYSA-N
MW203.03 g/mol
LogP1.65
Rot. Bonds1

About 3-bromo-4-(hydroxymethyl)phenol

3-bromo-4-(hydroxymethyl)phenol (PubChem CID 54447662) has the molecular formula C7H7BrO2 and a molecular weight of 203.03 g/mol. Its IUPAC name is 3-bromo-4-(hydroxymethyl)phenol.

Molecular Properties

Compound Name3-bromo-4-(hydroxymethyl)phenol
PubChem CID54447662
Molecular FormulaC7H7BrO2
Molecular Weight203.03 g/mol
Exact Mass201.96
IUPAC Name3-bromo-4-(hydroxymethyl)phenol
SMILESOCc1ccc(O)cc1Br
InChIInChI=1S/C7H7BrO2/c8-7-3-6(10)2-1-5(7)4-9/h1-3,9-10H,4H2
InChIKeyWSRHRQCZRFLQMS-UHFFFAOYSA-N
XLogP1.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-(sulfanylmethyl)phenol
CID 117219908
3-bromo-4-butylphenol
CID 20571557
1-bromo-3-(2-bromo-4-hydroxyphenyl)propan-2-one
CID 131190700
3-bromo-4-(ethoxymethyl)phenol
CID 117219830
4-(hydroxymethyl)-3-propan-2-ylphenol
CID 22011208
4-(hydroxymethyl)-3-methoxyphenol
CID 3759783
2-(2-bromo-4-hydroxyphenyl)-N-methoxy-N-methylacetamide
CID 86666324
4-bromo-3-(3-hydroxypropyl)phenol
CID 66845048
3-[3-bromo-4-(hydroxymethyl)phenyl]propanenitrile
CID 130850533
[2-bromo-4-(4-chlorophenoxy)phenyl]methanol
CID 66738685
[2-bromo-4-(ethylaminosulfanyl)phenyl]methanol
CID 134514303
2-(2-bromo-5-hydroxyphenyl)acetic acid
CID 57257821

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(hydroxymethyl)phenol?
The IUPAC name of 3-bromo-4-(hydroxymethyl)phenol (CID 54447662) is 3-bromo-4-(hydroxymethyl)phenol.
What is the SMILES notation for 3-bromo-4-(hydroxymethyl)phenol?
The canonical SMILES for 3-bromo-4-(hydroxymethyl)phenol is OCc1ccc(O)cc1Br.
What is the InChIKey of 3-bromo-4-(hydroxymethyl)phenol?
The InChIKey is WSRHRQCZRFLQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO2/c8-7-3-6(10)2-1-5(7)4-9/h1-3,9-10H,4H2.
What are the key properties of 3-bromo-4-(hydroxymethyl)phenol?
3-bromo-4-(hydroxymethyl)phenol has a molecular weight of 203.03 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(hydroxymethyl)phenol is sourced from PubChem (CID 54447662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).