4-bromo-3-(hydroxymethyl)-2-methylphenol

C8H9BrO2 — CID 66643800

IUPAC4-bromo-3-(hydroxymethyl)-2-methylphenol
SMILESCc1c(O)ccc(Br)c1CO
InChIInChI=1S/C8H9BrO2/c1-5-6(4-10)7(9)2-3-8(5)11/h2-3,10-11H,4H2,1H3
InChIKeyPCIBNCRQRIUZMN-UHFFFAOYSA-N
MW217.06 g/mol
LogP1.96
Rot. Bonds1

About 4-bromo-3-(hydroxymethyl)-2-methylphenol

4-bromo-3-(hydroxymethyl)-2-methylphenol (PubChem CID 66643800) has the molecular formula C8H9BrO2 and a molecular weight of 217.06 g/mol. Its IUPAC name is 4-bromo-3-(hydroxymethyl)-2-methylphenol.

Molecular Properties

Compound Name4-bromo-3-(hydroxymethyl)-2-methylphenol
PubChem CID66643800
Molecular FormulaC8H9BrO2
Molecular Weight217.06 g/mol
Exact Mass215.98
IUPAC Name4-bromo-3-(hydroxymethyl)-2-methylphenol
SMILESCc1c(O)ccc(Br)c1CO
InChIInChI=1S/C8H9BrO2/c1-5-6(4-10)7(9)2-3-8(5)11/h2-3,10-11H,4H2,1H3
InChIKeyPCIBNCRQRIUZMN-UHFFFAOYSA-N
XLogP1.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Vermella
CID 203726
4-Bromonaphthalen-1-ol
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4-Bromo-2-ethylphenol
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2-Allyl-4-bromophenol
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4-Bromo-2,3-dimethylanisole
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4-Bromo-2,3-dimethylphenol
CID 13974656
4-Bromo-2,5-dimethylphenol
CID 13974657
6-Bromo-2,3-dimethylphenol
CID 22345930
2-Bromo-6-isopropyl-3-methylphenol
CID 13067772
4-Bromo-2-tert-butylphenol
CID 97068
5-Bromonaphthalen-1-ol
CID 12336394

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(hydroxymethyl)-2-methylphenol?
The IUPAC name of 4-bromo-3-(hydroxymethyl)-2-methylphenol (CID 66643800) is 4-bromo-3-(hydroxymethyl)-2-methylphenol.
What is the SMILES notation for 4-bromo-3-(hydroxymethyl)-2-methylphenol?
The canonical SMILES for 4-bromo-3-(hydroxymethyl)-2-methylphenol is Cc1c(O)ccc(Br)c1CO.
What is the InChIKey of 4-bromo-3-(hydroxymethyl)-2-methylphenol?
The InChIKey is PCIBNCRQRIUZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO2/c1-5-6(4-10)7(9)2-3-8(5)11/h2-3,10-11H,4H2,1H3.
What are the key properties of 4-bromo-3-(hydroxymethyl)-2-methylphenol?
4-bromo-3-(hydroxymethyl)-2-methylphenol has a molecular weight of 217.06 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(hydroxymethyl)-2-methylphenol is sourced from PubChem (CID 66643800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).