[2-(bromomethyl)phenyl]methanol

C8H9BrO — CID 10943522

IUPAC[2-(bromomethyl)phenyl]methanol
SMILESOCc1ccccc1CBr
InChIInChI=1S/C8H9BrO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,10H,5-6H2
InChIKeyJDBQNNKIOFSPOA-UHFFFAOYSA-N
MW201.06 g/mol
LogP2.07
Rot. Bonds2

About [2-(bromomethyl)phenyl]methanol

[2-(bromomethyl)phenyl]methanol (PubChem CID 10943522) has the molecular formula C8H9BrO and a molecular weight of 201.06 g/mol. Its IUPAC name is [2-(bromomethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(bromomethyl)phenyl]methanol
PubChem CID10943522
Molecular FormulaC8H9BrO
Molecular Weight201.06 g/mol
Exact Mass199.98
IUPAC Name[2-(bromomethyl)phenyl]methanol
SMILESOCc1ccccc1CBr
InChIInChI=1S/C8H9BrO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,10H,5-6H2
InChIKeyJDBQNNKIOFSPOA-UHFFFAOYSA-N
XLogP2.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Benzyl Alcohol
CID 244
1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
1-Phenylethanol, (R)-
CID 637516
1-Phenylethanol, (S)-
CID 443135
2-Methylbenzyl alcohol
CID 6994
4-Bromobenzyl alcohol
CID 70119
1,2-Benzenedimethanol
CID 69153
2-Methylphenethyl alcohol
CID 88267
3,4-Dimethylbenzyl alcohol
CID 23407
2,4-Dimethylbenzyl alcohol
CID 27809
2-Bromobenzyl alcohol
CID 72850

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)phenyl]methanol?
The IUPAC name of [2-(bromomethyl)phenyl]methanol (CID 10943522) is [2-(bromomethyl)phenyl]methanol.
What is the SMILES notation for [2-(bromomethyl)phenyl]methanol?
The canonical SMILES for [2-(bromomethyl)phenyl]methanol is OCc1ccccc1CBr.
What is the InChIKey of [2-(bromomethyl)phenyl]methanol?
The InChIKey is JDBQNNKIOFSPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,10H,5-6H2.
What are the key properties of [2-(bromomethyl)phenyl]methanol?
[2-(bromomethyl)phenyl]methanol has a molecular weight of 201.06 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)phenyl]methanol is sourced from PubChem (CID 10943522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).