1-(5-chloro-1-benzofuran-2-yl)-1-(2-methoxyphenyl)ethanol

C17H15ClO3 — CID 114723050

IUPAC1-(5-chloro-1-benzofuran-2-yl)-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1C(C)(O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H15ClO3/c1-17(19,13-5-3-4-6-15(13)20-2)16-10-11-9-12(18)7-8-14(11)21-16/h3-10,19H,1-2H3
InChIKeyHCYCVLPKTYHDNW-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.35
Rot. Bonds3

About 1-(5-chloro-1-benzofuran-2-yl)-1-(2-methoxyphenyl)ethanol

1-(5-chloro-1-benzofuran-2-yl)-1-(2-methoxyphenyl)ethanol (PubChem CID 114723050) has the molecular formula C17H15ClO3 and a molecular weight of 302.76 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-1-(2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-1-(2-methoxyphenyl)ethanol
PubChem CID114723050
Molecular FormulaC17H15ClO3
Molecular Weight302.76 g/mol
Exact Mass302.07
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1C(C)(O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H15ClO3/c1-17(19,13-5-3-4-6-15(13)20-2)16-10-11-9-12(18)7-8-14(11)21-16/h3-10,19H,1-2H3
InChIKeyHCYCVLPKTYHDNW-UHFFFAOYSA-N
XLogP4.35
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol
CID 114723015
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
1-(5-chloro-2-methoxyphenyl)-1-(2-fluorophenyl)ethanol
CID 62788121
1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol
CID 114724598
1-(5-chloro-1-benzofuran-2-yl)-2-(2-methoxyphenyl)ethanol
CID 114726331
2-amino-1-(5-chloro-1-benzofuran-2-yl)-1-phenylethanol
CID 114724604
1-(5-bromo-2-fluorophenyl)-1-(2-methoxyphenyl)ethanol
CID 79743336
4-(5-chloro-1-benzofuran-2-yl)-4-methylpentan-2-ol
CID 114733752
1-(4-tert-butylphenyl)-1-(2-methoxyphenyl)ethanol
CID 62549935
1-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 62788494

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-1-(2-methoxyphenyl)ethanol?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-1-(2-methoxyphenyl)ethanol (CID 114723050) is 1-(5-chloro-1-benzofuran-2-yl)-1-(2-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-1-(2-methoxyphenyl)ethanol?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-1-(2-methoxyphenyl)ethanol is COc1ccccc1C(C)(O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-1-(2-methoxyphenyl)ethanol?
The InChIKey is HCYCVLPKTYHDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO3/c1-17(19,13-5-3-4-6-15(13)20-2)16-10-11-9-12(18)7-8-14(11)21-16/h3-10,19H,1-2H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-1-(2-methoxyphenyl)ethanol?
1-(5-chloro-1-benzofuran-2-yl)-1-(2-methoxyphenyl)ethanol has a molecular weight of 302.76 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-1-(2-methoxyphenyl)ethanol is sourced from PubChem (CID 114723050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).