2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol

C10H12BrClO2 — CID 116863294

IUPAC2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(Cl)cc1C(O)C(C)Br
InChIInChI=1S/C10H12BrClO2/c1-6(11)10(13)8-5-7(12)3-4-9(8)14-2/h3-6,10,13H,1-2H3
InChIKeyWZGKQXPKHLYDSO-UHFFFAOYSA-N
MW279.56 g/mol
LogP3.17
Rot. Bonds3

About 2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol

2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol (PubChem CID 116863294) has the molecular formula C10H12BrClO2 and a molecular weight of 279.56 g/mol. Its IUPAC name is 2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol
PubChem CID116863294
Molecular FormulaC10H12BrClO2
Molecular Weight279.56 g/mol
Exact Mass277.97
IUPAC Name2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(Cl)cc1C(O)C(C)Br
InChIInChI=1S/C10H12BrClO2/c1-6(11)10(13)8-5-7(12)3-4-9(8)14-2/h3-6,10,13H,1-2H3
InChIKeyWZGKQXPKHLYDSO-UHFFFAOYSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.56
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 104546198
(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol
CID 130749346
2-(1-bromopropan-2-yl)-4-chloro-1-methoxybenzene
CID 82091358
methyl 2-bromo-2-(5-chloro-2-methoxyphenyl)acetate
CID 82489876
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
2-(1-bromobutyl)-4-chloro-1-methoxybenzene
CID 104546547
2-(5-chloro-2-methoxyphenyl)propane-1,3-diol
CID 82113852
3-amino-1-(5-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525686
2-(4-bromo-3-methylbutan-2-yl)-4-chloro-1-methoxybenzene
CID 83933115
2-(4-bromobutan-2-yl)-4-chloro-1-methoxybenzene
CID 82093766
2-(1-bromo-2-cyclopropylpropyl)-4-chloro-1-methoxybenzene
CID 104546471
(2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol
CID 103906405

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol (CID 116863294) is 2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol is COc1ccc(Cl)cc1C(O)C(C)Br.
What is the InChIKey of 2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol?
The InChIKey is WZGKQXPKHLYDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO2/c1-6(11)10(13)8-5-7(12)3-4-9(8)14-2/h3-6,10,13H,1-2H3.
What are the key properties of 2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol?
2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol has a molecular weight of 279.56 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 116863294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).