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

C16H13ClOS — CID 114910893

IUPAC1-(1-benzothiophen-2-yl)-1-(4-chlorophenyl)ethanol
SMILESCC(O)(c1ccc(Cl)cc1)c1cc2ccccc2s1
InChIInChI=1S/C16H13ClOS/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
InChIKeyXJHVLOYHTRCWTN-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.81
Rot. Bonds2

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

1-(1-benzothiophen-2-yl)-1-(4-chlorophenyl)ethanol (PubChem CID 114910893) has the molecular formula C16H13ClOS and a molecular weight of 288.80 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-1-(4-chlorophenyl)ethanol
PubChem CID114910893
Molecular FormulaC16H13ClOS
Molecular Weight288.80 g/mol
Exact Mass288.04
IUPAC Name1-(1-benzothiophen-2-yl)-1-(4-chlorophenyl)ethanol
SMILESCC(O)(c1ccc(Cl)cc1)c1cc2ccccc2s1
InChIInChI=1S/C16H13ClOS/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
InChIKeyXJHVLOYHTRCWTN-UHFFFAOYSA-N
XLogP4.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-1-(4-chlorophenyl)ethanol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-1-(4-chlorophenyl)ethanol (CID 114910893) is 1-(1-benzothiophen-2-yl)-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-1-(4-chlorophenyl)ethanol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-1-(4-chlorophenyl)ethanol is CC(O)(c1ccc(Cl)cc1)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-1-(4-chlorophenyl)ethanol?
The InChIKey is XJHVLOYHTRCWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClOS/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-benzothiophen-2-yl)-1-(4-chlorophenyl)ethanol?
1-(1-benzothiophen-2-yl)-1-(4-chlorophenyl)ethanol has a molecular weight of 288.80 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-1-(4-chlorophenyl)ethanol is sourced from PubChem (CID 114910893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).