4-bromo-2-chloro-3-(hydroxymethyl)phenol

C7H6BrClO2 — CID 66643855

IUPAC4-bromo-2-chloro-3-(hydroxymethyl)phenol
SMILESOCc1c(Br)ccc(O)c1Cl
InChIInChI=1S/C7H6BrClO2/c8-5-1-2-6(11)7(9)4(5)3-10/h1-2,10-11H,3H2
InChIKeyPLUPZQOUZUDMMM-UHFFFAOYSA-N
MW237.48 g/mol
LogP2.30
Rot. Bonds1

About 4-bromo-2-chloro-3-(hydroxymethyl)phenol

4-bromo-2-chloro-3-(hydroxymethyl)phenol (PubChem CID 66643855) has the molecular formula C7H6BrClO2 and a molecular weight of 237.48 g/mol. Its IUPAC name is 4-bromo-2-chloro-3-(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-bromo-2-chloro-3-(hydroxymethyl)phenol
PubChem CID66643855
Molecular FormulaC7H6BrClO2
Molecular Weight237.48 g/mol
Exact Mass235.92
IUPAC Name4-bromo-2-chloro-3-(hydroxymethyl)phenol
SMILESOCc1c(Br)ccc(O)c1Cl
InChIInChI=1S/C7H6BrClO2/c8-5-1-2-6(11)7(9)4(5)3-10/h1-2,10-11H,3H2
InChIKeyPLUPZQOUZUDMMM-UHFFFAOYSA-N
XLogP2.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.48
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-(hydroxymethyl)-2-methylphenol
CID 66643800
4-bromo-3-chloro-2-(3-hydroxypropyl)phenol
CID 172819441
(3-bromo-2-chloro-6-fluorophenyl)methanol
CID 74892834
4-bromo-3-chloro-2-(phosphanylmethyl)phenol
CID 156723445
2,3-dibromobenzene-1,4-diol;2,3-dichlorobenzene-1,4-diol
CID 174923260
(6-bromo-2-chloro-3-phenylmethoxyphenyl)methanol
CID 146035386
(3-bromo-6-chloro-2-methylphenyl)methanol
CID 131627541
4-bromo-3-chloro-2-methylphenol;ethane
CID 162438700
(4-bromo-2-chloro-3-fluorophenyl)methanol
CID 117351692
2-(3-bromo-2,6-dichlorophenyl)ethanol
CID 69130097
(2-amino-6-bromo-3-fluorophenyl)methanol
CID 71299189
2-(3,6-dibromo-2-chlorophenyl)acetic acid
CID 171009622

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-3-(hydroxymethyl)phenol?
The IUPAC name of 4-bromo-2-chloro-3-(hydroxymethyl)phenol (CID 66643855) is 4-bromo-2-chloro-3-(hydroxymethyl)phenol.
What is the SMILES notation for 4-bromo-2-chloro-3-(hydroxymethyl)phenol?
The canonical SMILES for 4-bromo-2-chloro-3-(hydroxymethyl)phenol is OCc1c(Br)ccc(O)c1Cl.
What is the InChIKey of 4-bromo-2-chloro-3-(hydroxymethyl)phenol?
The InChIKey is PLUPZQOUZUDMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO2/c8-5-1-2-6(11)7(9)4(5)3-10/h1-2,10-11H,3H2.
What are the key properties of 4-bromo-2-chloro-3-(hydroxymethyl)phenol?
4-bromo-2-chloro-3-(hydroxymethyl)phenol has a molecular weight of 237.48 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-3-(hydroxymethyl)phenol is sourced from PubChem (CID 66643855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).