1-(3,4-dichlorophenyl)-2-(furan-3-yl)propan-2-ol

C13H12Cl2O2 — CID 115467189

IUPAC1-(3,4-dichlorophenyl)-2-(furan-3-yl)propan-2-ol
SMILESCC(O)(Cc1ccc(Cl)c(Cl)c1)c1ccoc1
InChIInChI=1S/C13H12Cl2O2/c1-13(16,10-4-5-17-8-10)7-9-2-3-11(14)12(15)6-9/h2-6,8,16H,7H2,1H3
InChIKeyJKAQOTKOEXBHMR-UHFFFAOYSA-N
MW271.14 g/mol
LogP4.04
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-2-(furan-3-yl)propan-2-ol

1-(3,4-dichlorophenyl)-2-(furan-3-yl)propan-2-ol (PubChem CID 115467189) has the molecular formula C13H12Cl2O2 and a molecular weight of 271.14 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(furan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(furan-3-yl)propan-2-ol
PubChem CID115467189
Molecular FormulaC13H12Cl2O2
Molecular Weight271.14 g/mol
Exact Mass270.02
IUPAC Name1-(3,4-dichlorophenyl)-2-(furan-3-yl)propan-2-ol
SMILESCC(O)(Cc1ccc(Cl)c(Cl)c1)c1ccoc1
InChIInChI=1S/C13H12Cl2O2/c1-13(16,10-4-5-17-8-10)7-9-2-3-11(14)12(15)6-9/h2-6,8,16H,7H2,1H3
InChIKeyJKAQOTKOEXBHMR-UHFFFAOYSA-N
XLogP4.04
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
CID 65145380
4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol
CID 83075227
2-(2-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
CID 65145288
1-(5-ethyl-2-pyridinyl)-2-(furan-3-yl)propan-2-ol
CID 113315423
2-(furan-3-yl)butan-2-ol
CID 63948542
1-(2-chloro-3-fluorophenyl)-2-(furan-3-yl)propan-2-ol
CID 112653159
2-(furan-3-yl)-1-pyridin-2-ylpropan-2-ol
CID 115467149
1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol
CID 63012421
3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal
CID 66039817
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol
CID 103039094
2-(2,4-dichloro-5-fluorophenyl)-1-(furan-3-yl)propan-2-ol
CID 83173013
3-(3,4-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739590

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(furan-3-yl)propan-2-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(furan-3-yl)propan-2-ol (CID 115467189) is 1-(3,4-dichlorophenyl)-2-(furan-3-yl)propan-2-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(furan-3-yl)propan-2-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(furan-3-yl)propan-2-ol is CC(O)(Cc1ccc(Cl)c(Cl)c1)c1ccoc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(furan-3-yl)propan-2-ol?
The InChIKey is JKAQOTKOEXBHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2O2/c1-13(16,10-4-5-17-8-10)7-9-2-3-11(14)12(15)6-9/h2-6,8,16H,7H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(furan-3-yl)propan-2-ol?
1-(3,4-dichlorophenyl)-2-(furan-3-yl)propan-2-ol has a molecular weight of 271.14 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(furan-3-yl)propan-2-ol is sourced from PubChem (CID 115467189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).