1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol

C10H12BrFO — CID 117369429

IUPAC1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol
SMILESCc1c(F)cc(CC(C)O)cc1Br
InChIInChI=1S/C10H12BrFO/c1-6(13)3-8-4-9(11)7(2)10(12)5-8/h4-6,13H,3H2,1-2H3
InChIKeyWYJGMDUNHFJNTN-UHFFFAOYSA-N
MW247.11 g/mol
LogP2.82
Rot. Bonds2

About 1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol

1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol (PubChem CID 117369429) has the molecular formula C10H12BrFO and a molecular weight of 247.11 g/mol. Its IUPAC name is 1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol
PubChem CID117369429
Molecular FormulaC10H12BrFO
Molecular Weight247.11 g/mol
Exact Mass246.01
IUPAC Name1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol
SMILESCc1c(F)cc(CC(C)O)cc1Br
InChIInChI=1S/C10H12BrFO/c1-6(13)3-8-4-9(11)7(2)10(12)5-8/h4-6,13H,3H2,1-2H3
InChIKeyWYJGMDUNHFJNTN-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117443726
2,6-difluoro-4-(2-hydroxypropyl)benzaldehyde
CID 87217406
1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117410057
1-(5-bromo-2-fluoro-4-methylphenyl)propan-2-ol
CID 117369420
1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117307929
2-(3-bromo-5-fluoro-4-methylphenyl)-N-methylethanamine
CID 83843675
5-(2-hydroxypropyl)benzene-1,2,3-triol
CID 141358903
(2R)-1-(3,5-dimethylphenyl)propan-2-ol
CID 93461855
5-(2-hydroxypropyl)-2,3-dimethylphenol
CID 117278410
1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol
CID 117463259
1-bromo-3-fluoro-2,5-dimethylbenzene
CID 20799393
1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol
CID 117311648

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol?
The IUPAC name of 1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol (CID 117369429) is 1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol is Cc1c(F)cc(CC(C)O)cc1Br.
What is the InChIKey of 1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol?
The InChIKey is WYJGMDUNHFJNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO/c1-6(13)3-8-4-9(11)7(2)10(12)5-8/h4-6,13H,3H2,1-2H3.
What are the key properties of 1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol?
1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol has a molecular weight of 247.11 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol is sourced from PubChem (CID 117369429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).