2-(2,6-dichlorophenyl)-1-(3-methylfuran-2-yl)ethanol

C13H12Cl2O2 — CID 104800869

IUPAC2-(2,6-dichlorophenyl)-1-(3-methylfuran-2-yl)ethanol
SMILESCc1ccoc1C(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H12Cl2O2/c1-8-5-6-17-13(8)12(16)7-9-10(14)3-2-4-11(9)15/h2-6,12,16H,7H2,1H3
InChIKeyNJPBXFZHVRSSAN-UHFFFAOYSA-N
MW271.14 g/mol
LogP4.17
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-(3-methylfuran-2-yl)ethanol

2-(2,6-dichlorophenyl)-1-(3-methylfuran-2-yl)ethanol (PubChem CID 104800869) has the molecular formula C13H12Cl2O2 and a molecular weight of 271.14 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(3-methylfuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(3-methylfuran-2-yl)ethanol
PubChem CID104800869
Molecular FormulaC13H12Cl2O2
Molecular Weight271.14 g/mol
Exact Mass270.02
IUPAC Name2-(2,6-dichlorophenyl)-1-(3-methylfuran-2-yl)ethanol
SMILESCc1ccoc1C(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H12Cl2O2/c1-8-5-6-17-13(8)12(16)7-9-10(14)3-2-4-11(9)15/h2-6,12,16H,7H2,1H3
InChIKeyNJPBXFZHVRSSAN-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(3-methylfuran-2-yl)ethanol?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(3-methylfuran-2-yl)ethanol (CID 104800869) is 2-(2,6-dichlorophenyl)-1-(3-methylfuran-2-yl)ethanol.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(3-methylfuran-2-yl)ethanol?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(3-methylfuran-2-yl)ethanol is Cc1ccoc1C(O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(3-methylfuran-2-yl)ethanol?
The InChIKey is NJPBXFZHVRSSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2O2/c1-8-5-6-17-13(8)12(16)7-9-10(14)3-2-4-11(9)15/h2-6,12,16H,7H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(3-methylfuran-2-yl)ethanol?
2-(2,6-dichlorophenyl)-1-(3-methylfuran-2-yl)ethanol has a molecular weight of 271.14 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(3-methylfuran-2-yl)ethanol is sourced from PubChem (CID 104800869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).