1-(2-chloro-3-fluorophenyl)-2-(furan-3-yl)propan-2-ol

C13H12ClFO2 — CID 112653159

IUPAC1-(2-chloro-3-fluorophenyl)-2-(furan-3-yl)propan-2-ol
SMILESCC(O)(Cc1cccc(F)c1Cl)c1ccoc1
InChIInChI=1S/C13H12ClFO2/c1-13(16,10-5-6-17-8-10)7-9-3-2-4-11(15)12(9)14/h2-6,8,16H,7H2,1H3
InChIKeyUUOUSDYVHXKHJF-UHFFFAOYSA-N
MW254.69 g/mol
LogP3.52
Rot. Bonds3

About 1-(2-chloro-3-fluorophenyl)-2-(furan-3-yl)propan-2-ol

1-(2-chloro-3-fluorophenyl)-2-(furan-3-yl)propan-2-ol (PubChem CID 112653159) has the molecular formula C13H12ClFO2 and a molecular weight of 254.69 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-2-(furan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-2-(furan-3-yl)propan-2-ol
PubChem CID112653159
Molecular FormulaC13H12ClFO2
Molecular Weight254.69 g/mol
Exact Mass254.05
IUPAC Name1-(2-chloro-3-fluorophenyl)-2-(furan-3-yl)propan-2-ol
SMILESCC(O)(Cc1cccc(F)c1Cl)c1ccoc1
InChIInChI=1S/C13H12ClFO2/c1-13(16,10-5-6-17-8-10)7-9-3-2-4-11(15)12(9)14/h2-6,8,16H,7H2,1H3
InChIKeyUUOUSDYVHXKHJF-UHFFFAOYSA-N
XLogP3.52
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3-fluorophenyl)-2-phenylpropan-2-ol
CID 112652939
1-(2-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propan-2-ol
CID 112652946
2-(4-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112652949
1-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol
CID 112652947
1-(2-bromophenyl)-2-(furan-3-yl)propan-2-ol
CID 115467175
1-(2-chloro-3-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 112652973
1-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446016
1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 112652956
4-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutanal
CID 112653106
1-(3,4-dichlorophenyl)-2-(furan-3-yl)propan-2-ol
CID 115467189
1-(3-bromo-2,6-difluorophenyl)-2-(furan-3-yl)propan-2-ol
CID 106265532
2-(furan-3-yl)butan-2-ol
CID 63948542

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(furan-3-yl)propan-2-ol?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(furan-3-yl)propan-2-ol (CID 112653159) is 1-(2-chloro-3-fluorophenyl)-2-(furan-3-yl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-2-(furan-3-yl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-2-(furan-3-yl)propan-2-ol is CC(O)(Cc1cccc(F)c1Cl)c1ccoc1.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-2-(furan-3-yl)propan-2-ol?
The InChIKey is UUOUSDYVHXKHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFO2/c1-13(16,10-5-6-17-8-10)7-9-3-2-4-11(15)12(9)14/h2-6,8,16H,7H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-2-(furan-3-yl)propan-2-ol?
1-(2-chloro-3-fluorophenyl)-2-(furan-3-yl)propan-2-ol has a molecular weight of 254.69 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-2-(furan-3-yl)propan-2-ol is sourced from PubChem (CID 112653159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).