[3-(2-bromoethyl)phenyl]methanol

C9H11BrO — CID 86049063

IUPAC[3-(2-bromoethyl)phenyl]methanol
SMILESOCc1cccc(CCBr)c1
InChIInChI=1S/C9H11BrO/c10-5-4-8-2-1-3-9(6-8)7-11/h1-3,6,11H,4-5,7H2
InChIKeyAFYJOHJJWOHONF-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.12
Rot. Bonds3

About [3-(2-bromoethyl)phenyl]methanol

[3-(2-bromoethyl)phenyl]methanol (PubChem CID 86049063) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is [3-(2-bromoethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(2-bromoethyl)phenyl]methanol
PubChem CID86049063
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name[3-(2-bromoethyl)phenyl]methanol
SMILESOCc1cccc(CCBr)c1
InChIInChI=1S/C9H11BrO/c10-5-4-8-2-1-3-9(6-8)7-11/h1-3,6,11H,4-5,7H2
InChIKeyAFYJOHJJWOHONF-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.12
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

2-[3-(2-bromoethyl)phenyl]ethanol
CID 58168543
[3-(6-phenylhexyl)phenyl]methanol
CID 139920561
[3-(2-bromoethyl)phenyl]methanesulfinic acid
CID 174526773
bis[3-(2-bromoethyl)phenyl]methanone
CID 175893594
1,3-bis(3-bromopropyl)benzene;ethane
CID 155596477
2-[3-(2-bromoethyl)phenyl]ethyl acetate
CID 174492765
4-[3-(hydroxymethyl)phenyl]butanoic acid
CID 123133673
3-[3-(bromomethyl)phenyl]propan-1-ol
CID 139754880
[3-(2-phenylmethoxyethyl)phenyl]methanol
CID 59371444
4-[2-[3-(hydroxymethyl)phenyl]ethyl]benzoic acid
CID 174540929
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107216595
7-[3-(hydroxymethyl)phenyl]heptanoic acid
CID 174451541

Frequently Asked Questions

What is the IUPAC name of [3-(2-bromoethyl)phenyl]methanol?
The IUPAC name of [3-(2-bromoethyl)phenyl]methanol (CID 86049063) is [3-(2-bromoethyl)phenyl]methanol.
What is the SMILES notation for [3-(2-bromoethyl)phenyl]methanol?
The canonical SMILES for [3-(2-bromoethyl)phenyl]methanol is OCc1cccc(CCBr)c1.
What is the InChIKey of [3-(2-bromoethyl)phenyl]methanol?
The InChIKey is AFYJOHJJWOHONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c10-5-4-8-2-1-3-9(6-8)7-11/h1-3,6,11H,4-5,7H2.
What are the key properties of [3-(2-bromoethyl)phenyl]methanol?
[3-(2-bromoethyl)phenyl]methanol has a molecular weight of 215.09 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bromoethyl)phenyl]methanol is sourced from PubChem (CID 86049063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).