[2-(1-bromopropyl)phenyl]methanol

C10H13BrO — CID 20523677

IUPAC[2-(1-bromopropyl)phenyl]methanol
SMILESCCC(Br)c1ccccc1CO
InChIInChI=1S/C10H13BrO/c1-2-10(11)9-6-4-3-5-8(9)7-12/h3-6,10,12H,2,7H2,1H3
InChIKeyIARNRUQGSXEYSM-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.02
Rot. Bonds3

About [2-(1-bromopropyl)phenyl]methanol

[2-(1-bromopropyl)phenyl]methanol (PubChem CID 20523677) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is [2-(1-bromopropyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(1-bromopropyl)phenyl]methanol
PubChem CID20523677
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name[2-(1-bromopropyl)phenyl]methanol
SMILESCCC(Br)c1ccccc1CO
InChIInChI=1S/C10H13BrO/c1-2-10(11)9-6-4-3-5-8(9)7-12/h3-6,10,12H,2,7H2,1H3
InChIKeyIARNRUQGSXEYSM-UHFFFAOYSA-N
XLogP3.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.02
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-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride
CID 162422631
[2-[1-[ethyl(methyl)amino]ethyl]phenyl]methanol
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[2-[(1R)-1-aminopentyl]phenyl]methanol
CID 55297220
(1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol
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[2-(1-phenylpentyl)phenyl]methanol
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[2-(2-methylbutyl)phenyl]methanol
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[2-[1-(2-methoxyphenyl)propylamino]phenyl]methanol
CID 43790484
[2-(hydroxymethyl)phenyl]methanol;methane
CID 143282166
1-bromo-3-(1-bromopropyl)-2-methylbenzene
CID 130139953
1-bromo-1-(2-ethylphenyl)propan-2-one
CID 130785743
2-[2-(hydroxymethyl)phenyl]-1-(2-methoxyphenyl)ethanol
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[2-(hydroxymethyl)phenyl] propanoate
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Frequently Asked Questions

What is the IUPAC name of [2-(1-bromopropyl)phenyl]methanol?
The IUPAC name of [2-(1-bromopropyl)phenyl]methanol (CID 20523677) is [2-(1-bromopropyl)phenyl]methanol.
What is the SMILES notation for [2-(1-bromopropyl)phenyl]methanol?
The canonical SMILES for [2-(1-bromopropyl)phenyl]methanol is CCC(Br)c1ccccc1CO.
What is the InChIKey of [2-(1-bromopropyl)phenyl]methanol?
The InChIKey is IARNRUQGSXEYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-2-10(11)9-6-4-3-5-8(9)7-12/h3-6,10,12H,2,7H2,1H3.
What are the key properties of [2-(1-bromopropyl)phenyl]methanol?
[2-(1-bromopropyl)phenyl]methanol has a molecular weight of 229.12 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-bromopropyl)phenyl]methanol is sourced from PubChem (CID 20523677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).