(3-bromo-4-methylphenyl)methanol

C8H9BrO — CID 12947381

IUPAC(3-bromo-4-methylphenyl)methanol
SMILESCc1ccc(CO)cc1Br
InChIInChI=1S/C8H9BrO/c1-6-2-3-7(5-10)4-8(6)9/h2-4,10H,5H2,1H3
InChIKeyZRBDUKUJADUIEO-UHFFFAOYSA-N
MW201.06 g/mol
LogP2.25
Rot. Bonds1

About (3-bromo-4-methylphenyl)methanol

(3-bromo-4-methylphenyl)methanol (PubChem CID 12947381) has the molecular formula C8H9BrO and a molecular weight of 201.06 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)methanol
PubChem CID12947381
Molecular FormulaC8H9BrO
Molecular Weight201.06 g/mol
Exact Mass199.98
IUPAC Name(3-bromo-4-methylphenyl)methanol
SMILESCc1ccc(CO)cc1Br
InChIInChI=1S/C8H9BrO/c1-6-2-3-7(5-10)4-8(6)9/h2-4,10H,5H2,1H3
InChIKeyZRBDUKUJADUIEO-UHFFFAOYSA-N
XLogP2.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 11505
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1-(4-Bromophenyl)ethanol
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1-(3-Bromophenyl)ethanol
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2-(2-Bromophenyl)propan-2-ol
CID 329527
(2-Bromo-4-fluorophenyl)methanol
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1-(3-Bromophenyl)-2,2,2-trifluoroethan-1-ol
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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)methanol?
The IUPAC name of (3-bromo-4-methylphenyl)methanol (CID 12947381) is (3-bromo-4-methylphenyl)methanol.
What is the SMILES notation for (3-bromo-4-methylphenyl)methanol?
The canonical SMILES for (3-bromo-4-methylphenyl)methanol is Cc1ccc(CO)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)methanol?
The InChIKey is ZRBDUKUJADUIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO/c1-6-2-3-7(5-10)4-8(6)9/h2-4,10H,5H2,1H3.
What are the key properties of (3-bromo-4-methylphenyl)methanol?
(3-bromo-4-methylphenyl)methanol has a molecular weight of 201.06 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)methanol is sourced from PubChem (CID 12947381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).