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

C16H12Cl2O2 — CID 114726287

IUPAC1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H12Cl2O2/c17-12-3-1-10(2-4-12)7-14(19)16-9-11-8-13(18)5-6-15(11)20-16/h1-6,8-9,14,19H,7H2
InChIKeyKEJRFCPQVNDSNH-UHFFFAOYSA-N
MW307.18 g/mol
LogP5.02
Rot. Bonds3

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

1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol (PubChem CID 114726287) has the molecular formula C16H12Cl2O2 and a molecular weight of 307.18 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
PubChem CID114726287
Molecular FormulaC16H12Cl2O2
Molecular Weight307.18 g/mol
Exact Mass306.02
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H12Cl2O2/c17-12-3-1-10(2-4-12)7-14(19)16-9-11-8-13(18)5-6-15(11)20-16/h1-6,8-9,14,19H,7H2
InChIKeyKEJRFCPQVNDSNH-UHFFFAOYSA-N
XLogP5.02
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.18
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol
CID 114727014
1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 105129392
1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol
CID 105129479
1-(5-chloro-1-benzofuran-2-yl)-2-(2-methoxyphenyl)ethanol
CID 114726331
2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 103053486
1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol
CID 105129366
1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038983
1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol
CID 115836585
2-[1-chloro-2-(4-chlorophenyl)ethyl]-5-methyl-1-benzofuran
CID 63543684
1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103217135
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol (CID 114726287) is 1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol is OC(Cc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol?
The InChIKey is KEJRFCPQVNDSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O2/c17-12-3-1-10(2-4-12)7-14(19)16-9-11-8-13(18)5-6-15(11)20-16/h1-6,8-9,14,19H,7H2.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol?
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol has a molecular weight of 307.18 g/mol, XLogP of 5.02, 3 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)-2-(4-chlorophenyl)ethanol is sourced from PubChem (CID 114726287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).