1-(5-bromo-2-chloro-4-methoxyphenyl)propan-2-ol

C10H12BrClO2 — CID 117448579

IUPAC1-(5-bromo-2-chloro-4-methoxyphenyl)propan-2-ol
SMILESCOc1cc(Cl)c(CC(C)O)cc1Br
InChIInChI=1S/C10H12BrClO2/c1-6(13)3-7-4-8(11)10(14-2)5-9(7)12/h4-6,13H,3H2,1-2H3
InChIKeyRMWYYHDDFGDSFK-UHFFFAOYSA-N
MW279.56 g/mol
LogP3.03
Rot. Bonds3

About 1-(5-bromo-2-chloro-4-methoxyphenyl)propan-2-ol

1-(5-bromo-2-chloro-4-methoxyphenyl)propan-2-ol (PubChem CID 117448579) has the molecular formula C10H12BrClO2 and a molecular weight of 279.56 g/mol. Its IUPAC name is 1-(5-bromo-2-chloro-4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-chloro-4-methoxyphenyl)propan-2-ol
PubChem CID117448579
Molecular FormulaC10H12BrClO2
Molecular Weight279.56 g/mol
Exact Mass277.97
IUPAC Name1-(5-bromo-2-chloro-4-methoxyphenyl)propan-2-ol
SMILESCOc1cc(Cl)c(CC(C)O)cc1Br
InChIInChI=1S/C10H12BrClO2/c1-6(13)3-7-4-8(11)10(14-2)5-9(7)12/h4-6,13H,3H2,1-2H3
InChIKeyRMWYYHDDFGDSFK-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol
CID 117306080
5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol
CID 117406460
(4-bromo-2-chloro-5-methoxyphenyl)methanamine
CID 83900433
2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol
CID 117308664
1-bromo-4-chloro-5-(isocyanatomethyl)-2-methoxybenzene
CID 117443198
3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol
CID 117369237
3-(5-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 117487959
1,4-dibromo-2-chloro-5-methoxybenzene
CID 50997851
5-(2-hydroxypropyl)-2,4-dimethoxyphenol
CID 117303005
2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol
CID 117375107
1-(2-bromo-5-chlorophenyl)propan-2-ol
CID 117377789
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol
CID 117328887

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chloro-4-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(5-bromo-2-chloro-4-methoxyphenyl)propan-2-ol (CID 117448579) is 1-(5-bromo-2-chloro-4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-chloro-4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(5-bromo-2-chloro-4-methoxyphenyl)propan-2-ol is COc1cc(Cl)c(CC(C)O)cc1Br.
What is the InChIKey of 1-(5-bromo-2-chloro-4-methoxyphenyl)propan-2-ol?
The InChIKey is RMWYYHDDFGDSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO2/c1-6(13)3-7-4-8(11)10(14-2)5-9(7)12/h4-6,13H,3H2,1-2H3.
What are the key properties of 1-(5-bromo-2-chloro-4-methoxyphenyl)propan-2-ol?
1-(5-bromo-2-chloro-4-methoxyphenyl)propan-2-ol has a molecular weight of 279.56 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chloro-4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 117448579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).