2-[4-[(4-chlorophenyl)methyl]furan-2-yl]ethanol

C13H13ClO2 — CID 141104212

IUPAC2-[4-[(4-chlorophenyl)methyl]furan-2-yl]ethanol
SMILESOCCc1cc(Cc2ccc(Cl)cc2)co1
InChIInChI=1S/C13H13ClO2/c14-12-3-1-10(2-4-12)7-11-8-13(5-6-15)16-9-11/h1-4,8-9,15H,5-7H2
InChIKeyJUDRRBJVOSPDDT-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.06
Rot. Bonds4

About 2-[4-[(4-chlorophenyl)methyl]furan-2-yl]ethanol

2-[4-[(4-chlorophenyl)methyl]furan-2-yl]ethanol (PubChem CID 141104212) has the molecular formula C13H13ClO2 and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methyl]furan-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methyl]furan-2-yl]ethanol
PubChem CID141104212
Molecular FormulaC13H13ClO2
Molecular Weight236.70 g/mol
Exact Mass236.06
IUPAC Name2-[4-[(4-chlorophenyl)methyl]furan-2-yl]ethanol
SMILESOCCc1cc(Cc2ccc(Cl)cc2)co1
InChIInChI=1S/C13H13ClO2/c14-12-3-1-10(2-4-12)7-11-8-13(5-6-15)16-9-11/h1-4,8-9,15H,5-7H2
InChIKeyJUDRRBJVOSPDDT-UHFFFAOYSA-N
XLogP3.06
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methyl]furan-2-yl]ethanol?
The IUPAC name of 2-[4-[(4-chlorophenyl)methyl]furan-2-yl]ethanol (CID 141104212) is 2-[4-[(4-chlorophenyl)methyl]furan-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methyl]furan-2-yl]ethanol?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methyl]furan-2-yl]ethanol is OCCc1cc(Cc2ccc(Cl)cc2)co1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methyl]furan-2-yl]ethanol?
The InChIKey is JUDRRBJVOSPDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2/c14-12-3-1-10(2-4-12)7-11-8-13(5-6-15)16-9-11/h1-4,8-9,15H,5-7H2.
What are the key properties of 2-[4-[(4-chlorophenyl)methyl]furan-2-yl]ethanol?
2-[4-[(4-chlorophenyl)methyl]furan-2-yl]ethanol has a molecular weight of 236.70 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methyl]furan-2-yl]ethanol is sourced from PubChem (CID 141104212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).