3-bromo-2-methylphenol

C7H7BrO — CID 11171430

IUPAC3-bromo-2-methylphenol
SMILESCc1c(O)cccc1Br
InChIInChI=1S/C7H7BrO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,1H3
InChIKeyWPDXAMRGYMDTOV-UHFFFAOYSA-N
MW187.04 g/mol
LogP2.46
Rot. Bonds

About 3-bromo-2-methylphenol

3-bromo-2-methylphenol (PubChem CID 11171430) has the molecular formula C7H7BrO and a molecular weight of 187.04 g/mol. Its IUPAC name is 3-bromo-2-methylphenol.

Molecular Properties

Compound Name3-bromo-2-methylphenol
PubChem CID11171430
Molecular FormulaC7H7BrO
Molecular Weight187.04 g/mol
Exact Mass185.97
IUPAC Name3-bromo-2-methylphenol
SMILESCc1c(O)cccc1Br
InChIInChI=1S/C7H7BrO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,1H3
InChIKeyWPDXAMRGYMDTOV-UHFFFAOYSA-N
XLogP2.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Bromophenol
CID 11563
4-Bromo-2,6-dimethylphenol
CID 16919
4-Bromo-2-methylphenol
CID 16896
2-Bromo-4-methylphenol
CID 23109
2,4-Dibromo-6-methylphenol
CID 11861
3-Bromo-4-phenylphenol
CID 66691
4-Bromo-m-cresol
CID 72857
5-Bromo-2-hydroxybenzyl alcohol
CID 75342
2-Bromo-5-methylphenol
CID 228638
4-Bromo-2-ethylphenol
CID 87877
2-Allyl-4-bromophenol
CID 258468
3,5-Dibromo-4-methylphenol
CID 55457

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methylphenol?
The IUPAC name of 3-bromo-2-methylphenol (CID 11171430) is 3-bromo-2-methylphenol.
What is the SMILES notation for 3-bromo-2-methylphenol?
The canonical SMILES for 3-bromo-2-methylphenol is Cc1c(O)cccc1Br.
What is the InChIKey of 3-bromo-2-methylphenol?
The InChIKey is WPDXAMRGYMDTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,1H3.
What are the key properties of 3-bromo-2-methylphenol?
3-bromo-2-methylphenol has a molecular weight of 187.04 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methylphenol is sourced from PubChem (CID 11171430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).