1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol

C17H15ClO2 — CID 114722955

IUPAC1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(C)(O)c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C17H15ClO2/c1-11-3-5-13(6-4-11)17(2,19)16-10-12-9-14(18)7-8-15(12)20-16/h3-10,19H,1-2H3
InChIKeyCVYHMYNBYOXPRH-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.65
Rot. Bonds2

About 1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol

1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol (PubChem CID 114722955) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol
PubChem CID114722955
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(C)(O)c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C17H15ClO2/c1-11-3-5-13(6-4-11)17(2,19)16-10-12-9-14(18)7-8-15(12)20-16/h3-10,19H,1-2H3
InChIKeyCVYHMYNBYOXPRH-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

1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol
CID 114723015
1-(5-chloro-1-benzofuran-2-yl)-1-(3-methylphenyl)ethanol
CID 114722975
1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol
CID 114724291
4-[1-hydroxy-1-(5-methyl-1-benzofuran-2-yl)ethyl]benzonitrile
CID 114724520
1-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60794087
1-(5-chloro-1-benzofuran-2-yl)-1-(2-methoxyphenyl)ethanol
CID 114723050
1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol
CID 114724598
1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 114724299
1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol
CID 114722950
4-(5-chloro-1-benzofuran-2-yl)-4-methylpentan-2-ol
CID 114733752
2-amino-1-(5-chloro-1-benzofuran-2-yl)-1-phenylethanol
CID 114724604
1-(3,4-difluorophenyl)-1-(4-methylphenyl)ethanol
CID 62801185

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol (CID 114722955) is 1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol is Cc1ccc(C(C)(O)c2cc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol?
The InChIKey is CVYHMYNBYOXPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2/c1-11-3-5-13(6-4-11)17(2,19)16-10-12-9-14(18)7-8-15(12)20-16/h3-10,19H,1-2H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol?
1-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)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-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 114722955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).