1-(1-benzofuran-2-yl)-1-(4-chlorophenyl)ethanol

C16H13ClO2 — CID 3067857

IUPAC1-(1-benzofuran-2-yl)-1-(4-chlorophenyl)ethanol
SMILESCC(O)(c1ccc(Cl)cc1)c1cc2ccccc2o1
InChIInChI=1S/C16H13ClO2/c1-16(18,12-6-8-13(17)9-7-12)15-10-11-4-2-3-5-14(11)19-15/h2-10,18H,1H3
InChIKeyYOJWZTMPJRZZNV-UHFFFAOYSA-N
MW272.73 g/mol
LogP4.34
Rot. Bonds2

About 1-(1-benzofuran-2-yl)-1-(4-chlorophenyl)ethanol

1-(1-benzofuran-2-yl)-1-(4-chlorophenyl)ethanol (PubChem CID 3067857) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-1-(4-chlorophenyl)ethanol
PubChem CID3067857
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name1-(1-benzofuran-2-yl)-1-(4-chlorophenyl)ethanol
SMILESCC(O)(c1ccc(Cl)cc1)c1cc2ccccc2o1
InChIInChI=1S/C16H13ClO2/c1-16(18,12-6-8-13(17)9-7-12)15-10-11-4-2-3-5-14(11)19-15/h2-10,18H,1H3
InChIKeyYOJWZTMPJRZZNV-UHFFFAOYSA-N
XLogP4.34
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Clobenfurol
CID 71132
[5-(4-Chlorophenyl)-2-furyl]methanol
CID 738660
5-(4-Chlorophenyl)-2-furoic acid
CID 726693
(4-Chlorophenyl)(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone
CID 876279
5-Chloro-3-methyl-1-benzofuran-2-carboxylic acid
CID 865778
5-Chloro-1-benzofuran-2-carboxylic acid
CID 937838
4-Benzofuran-2-yl-4-hydroxy-cyclohexa-2,5-dienone
CID 482699
4-(1-Benzofuran-2-yl)-4-hydroxynaphthalen-1-one
CID 9943486
6-Chloro-3-methyl-1-benzofuran-2-carboxylic acid
CID 13044634
4-Dibenzofuranol
CID 3015051
3-(3-(4-Chloro-3,5-dimethylphenoxy)propyl)benzofuran-2-carboxylic acid
CID 71545997
Methanone, 2-benzofuranyl(4-chlorophenyl)-
CID 838778

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-1-(4-chlorophenyl)ethanol?
The IUPAC name of 1-(1-benzofuran-2-yl)-1-(4-chlorophenyl)ethanol (CID 3067857) is 1-(1-benzofuran-2-yl)-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-1-(4-chlorophenyl)ethanol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-1-(4-chlorophenyl)ethanol is CC(O)(c1ccc(Cl)cc1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-1-(4-chlorophenyl)ethanol?
The InChIKey is YOJWZTMPJRZZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO2/c1-16(18,12-6-8-13(17)9-7-12)15-10-11-4-2-3-5-14(11)19-15/h2-10,18H,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-1-(4-chlorophenyl)ethanol?
1-(1-benzofuran-2-yl)-1-(4-chlorophenyl)ethanol has a molecular weight of 272.73 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-1-(4-chlorophenyl)ethanol is sourced from PubChem (CID 3067857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).