1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol

C16H15BrF2O2 — CID 115801395

IUPAC1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol
SMILESCOc1ccc(Br)c(CC(O)Cc2cccc(F)c2F)c1
InChIInChI=1S/C16H15BrF2O2/c1-21-13-5-6-14(17)11(9-13)8-12(20)7-10-3-2-4-15(18)16(10)19/h2-6,9,12,20H,7-8H2,1H3
InChIKeyGKPPCIUDMGBBLU-UHFFFAOYSA-N
MW357.19 g/mol
LogP3.88
Rot. Bonds5

About 1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol

1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol (PubChem CID 115801395) has the molecular formula C16H15BrF2O2 and a molecular weight of 357.19 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol
PubChem CID115801395
Molecular FormulaC16H15BrF2O2
Molecular Weight357.19 g/mol
Exact Mass356.02
IUPAC Name1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol
SMILESCOc1ccc(Br)c(CC(O)Cc2cccc(F)c2F)c1
InChIInChI=1S/C16H15BrF2O2/c1-21-13-5-6-14(17)11(9-13)8-12(20)7-10-3-2-4-15(18)16(10)19/h2-6,9,12,20H,7-8H2,1H3
InChIKeyGKPPCIUDMGBBLU-UHFFFAOYSA-N
XLogP3.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol
CID 65325394
1-(2-bromo-5-methoxyphenyl)-3-(3,5-difluorophenyl)propan-2-ol
CID 65325344
1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol
CID 65327415
1-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)propan-2-ol
CID 65325440
1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 106274453
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66070196
1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol
CID 65327369
1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol
CID 113391274
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
1-(2-bromo-5-methoxyphenyl)-5-methoxypentan-2-ol
CID 65325734
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol (CID 115801395) is 1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol is COc1ccc(Br)c(CC(O)Cc2cccc(F)c2F)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol?
The InChIKey is GKPPCIUDMGBBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF2O2/c1-21-13-5-6-14(17)11(9-13)8-12(20)7-10-3-2-4-15(18)16(10)19/h2-6,9,12,20H,7-8H2,1H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol?
1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol has a molecular weight of 357.19 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol is sourced from PubChem (CID 115801395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).