1-(4-chlorophenyl)-1-(3-methyl-1-benzofuran-2-yl)ethanol

C17H15ClO2 — CID 3088247

IUPAC1-(4-chlorophenyl)-1-(3-methyl-1-benzofuran-2-yl)ethanol
SMILESCc1c(C(C)(O)c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C17H15ClO2/c1-11-14-5-3-4-6-15(14)20-16(11)17(2,19)12-7-9-13(18)10-8-12/h3-10,19H,1-2H3
InChIKeyJYOYTMQUCUHFHT-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.65
Rot. Bonds2

About 1-(4-chlorophenyl)-1-(3-methyl-1-benzofuran-2-yl)ethanol

1-(4-chlorophenyl)-1-(3-methyl-1-benzofuran-2-yl)ethanol (PubChem CID 3088247) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(3-methyl-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(3-methyl-1-benzofuran-2-yl)ethanol
PubChem CID3088247
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name1-(4-chlorophenyl)-1-(3-methyl-1-benzofuran-2-yl)ethanol
SMILESCc1c(C(C)(O)c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C17H15ClO2/c1-11-14-5-3-4-6-15(14)20-16(11)17(2,19)12-7-9-13(18)10-8-12/h3-10,19H,1-2H3
InChIKeyJYOYTMQUCUHFHT-UHFFFAOYSA-N
XLogP4.65
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.65
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-(4-chlorophenyl)-1-(3-methyl-1-benzofuran-2-yl)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-1-(3-methyl-1-benzofuran-2-yl)ethanol (CID 3088247) is 1-(4-chlorophenyl)-1-(3-methyl-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(3-methyl-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-1-(3-methyl-1-benzofuran-2-yl)ethanol is Cc1c(C(C)(O)c2ccc(Cl)cc2)oc2ccccc12.
What is the InChIKey of 1-(4-chlorophenyl)-1-(3-methyl-1-benzofuran-2-yl)ethanol?
The InChIKey is JYOYTMQUCUHFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2/c1-11-14-5-3-4-6-15(14)20-16(11)17(2,19)12-7-9-13(18)10-8-12/h3-10,19H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-1-(3-methyl-1-benzofuran-2-yl)ethanol?
1-(4-chlorophenyl)-1-(3-methyl-1-benzofuran-2-yl)ethanol has a molecular weight of 286.76 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(3-methyl-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 3088247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).