2-[2-(bromomethyl)phenyl]propan-2-ol

C10H13BrO — CID 139754869

IUPAC2-[2-(bromomethyl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1CBr
InChIInChI=1S/C10H13BrO/c1-10(2,12)9-6-4-3-5-8(9)7-11/h3-6,12H,7H2,1-2H3
InChIKeyJDEFEOGHJVSIEJ-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.81
Rot. Bonds2

About 2-[2-(bromomethyl)phenyl]propan-2-ol

2-[2-(bromomethyl)phenyl]propan-2-ol (PubChem CID 139754869) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 2-[2-(bromomethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(bromomethyl)phenyl]propan-2-ol
PubChem CID139754869
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name2-[2-(bromomethyl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1CBr
InChIInChI=1S/C10H13BrO/c1-10(2,12)9-6-4-3-5-8(9)7-11/h3-6,12H,7H2,1-2H3
InChIKeyJDEFEOGHJVSIEJ-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.81
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-(2-ethylphenyl)propan-2-ol
CID 11958936
2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenyl]propan-2-ol
CID 70834223
7-[2-(2-hydroxypropan-2-yl)phenyl]-5-methylheptanal
CID 90781656
CID 140788704
CID 140788704
2-[2-[[2-(hydroxymethyl)-5-methylphenyl]methyl]phenyl]propan-2-ol
CID 173309846
2-(2-chlorophenyl)propan-2-ol
CID 12759846
2-[2-(1,1-difluoroethyl)phenyl]propan-2-ol
CID 84669438
1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane
CID 142343598
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
1-(bromomethyl)-2-[[2-(bromomethyl)phenyl]methyl]benzene
CID 11110991
1-tert-butyl-2-ethylbenzene;hydrogen peroxide
CID 88799251
2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol
CID 18356493

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)phenyl]propan-2-ol?
The IUPAC name of 2-[2-(bromomethyl)phenyl]propan-2-ol (CID 139754869) is 2-[2-(bromomethyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-(bromomethyl)phenyl]propan-2-ol?
The canonical SMILES for 2-[2-(bromomethyl)phenyl]propan-2-ol is CC(C)(O)c1ccccc1CBr.
What is the InChIKey of 2-[2-(bromomethyl)phenyl]propan-2-ol?
The InChIKey is JDEFEOGHJVSIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-10(2,12)9-6-4-3-5-8(9)7-11/h3-6,12H,7H2,1-2H3.
What are the key properties of 2-[2-(bromomethyl)phenyl]propan-2-ol?
2-[2-(bromomethyl)phenyl]propan-2-ol has a molecular weight of 229.12 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)phenyl]propan-2-ol is sourced from PubChem (CID 139754869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).