1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol

C17H18BrFO — CID 65146449

IUPAC1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(C(C)(O)Cc2cc(F)ccc2Br)cc1C
InChIInChI=1S/C17H18BrFO/c1-11-4-5-14(8-12(11)2)17(3,20)10-13-9-15(19)6-7-16(13)18/h4-9,20H,10H2,1-3H3
InChIKeyAAMIHNWVCJILGU-UHFFFAOYSA-N
MW337.23 g/mol
LogP4.66
Rot. Bonds3

About 1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol

1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol (PubChem CID 65146449) has the molecular formula C17H18BrFO and a molecular weight of 337.23 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
PubChem CID65146449
Molecular FormulaC17H18BrFO
Molecular Weight337.23 g/mol
Exact Mass336.05
IUPAC Name1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(C(C)(O)Cc2cc(F)ccc2Br)cc1C
InChIInChI=1S/C17H18BrFO/c1-11-4-5-14(8-12(11)2)17(3,20)10-13-9-15(19)6-7-16(13)18/h4-9,20H,10H2,1-3H3
InChIKeyAAMIHNWVCJILGU-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-fluorophenyl)-2-(2-bromophenyl)propan-2-ol
CID 65144862
3-(4-aminophenyl)-1-(2-bromo-5-fluorophenyl)-3-methylbutan-2-one
CID 116598714
1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 82920068
1-(5-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65145030
1-(5-fluoro-2-methylphenyl)-2-pyridin-3-ylpropan-2-ol
CID 114080751
3-(5-fluoro-2-methylphenyl)-2-hydroxy-2-methylpropanal
CID 105372913
2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol
CID 63406671
1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 65146285
4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol
CID 102617435
1-(2,5-dichlorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 65316570
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
1-(2-fluoro-3-methoxyphenyl)-2-(3-fluorophenyl)propan-2-ol
CID 104793004

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol (CID 65146449) is 1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol is Cc1ccc(C(C)(O)Cc2cc(F)ccc2Br)cc1C.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol?
The InChIKey is AAMIHNWVCJILGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFO/c1-11-4-5-14(8-12(11)2)17(3,20)10-13-9-15(19)6-7-16(13)18/h4-9,20H,10H2,1-3H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol?
1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol has a molecular weight of 337.23 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 65146449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).