1-(3-ethyl-1-benzothiophen-2-yl)-1-(4-methoxyphenyl)ethanol

C19H20O2S — CID 12946619

IUPAC1-(3-ethyl-1-benzothiophen-2-yl)-1-(4-methoxyphenyl)ethanol
SMILESCCc1c(C(C)(O)c2ccc(OC)cc2)sc2ccccc12
InChIInChI=1S/C19H20O2S/c1-4-15-16-7-5-6-8-17(16)22-18(15)19(2,20)13-9-11-14(21-3)12-10-13/h5-12,20H,4H2,1-3H3
InChIKeyQSCBRWBYRCSRRB-UHFFFAOYSA-N
MW312.43 g/mol
LogP4.73
Rot. Bonds4

About 1-(3-ethyl-1-benzothiophen-2-yl)-1-(4-methoxyphenyl)ethanol

1-(3-ethyl-1-benzothiophen-2-yl)-1-(4-methoxyphenyl)ethanol (PubChem CID 12946619) has the molecular formula C19H20O2S and a molecular weight of 312.43 g/mol. Its IUPAC name is 1-(3-ethyl-1-benzothiophen-2-yl)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-ethyl-1-benzothiophen-2-yl)-1-(4-methoxyphenyl)ethanol
PubChem CID12946619
Molecular FormulaC19H20O2S
Molecular Weight312.43 g/mol
Exact Mass312.12
IUPAC Name1-(3-ethyl-1-benzothiophen-2-yl)-1-(4-methoxyphenyl)ethanol
SMILESCCc1c(C(C)(O)c2ccc(OC)cc2)sc2ccccc12
InChIInChI=1S/C19H20O2S/c1-4-15-16-7-5-6-8-17(16)22-18(15)19(2,20)13-9-11-14(21-3)12-10-13/h5-12,20H,4H2,1-3H3
InChIKeyQSCBRWBYRCSRRB-UHFFFAOYSA-N
XLogP4.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-benzothiophen-2-yl)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 1-(3-ethyl-1-benzothiophen-2-yl)-1-(4-methoxyphenyl)ethanol (CID 12946619) is 1-(3-ethyl-1-benzothiophen-2-yl)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-ethyl-1-benzothiophen-2-yl)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3-ethyl-1-benzothiophen-2-yl)-1-(4-methoxyphenyl)ethanol is CCc1c(C(C)(O)c2ccc(OC)cc2)sc2ccccc12.
What is the InChIKey of 1-(3-ethyl-1-benzothiophen-2-yl)-1-(4-methoxyphenyl)ethanol?
The InChIKey is QSCBRWBYRCSRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2S/c1-4-15-16-7-5-6-8-17(16)22-18(15)19(2,20)13-9-11-14(21-3)12-10-13/h5-12,20H,4H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-benzothiophen-2-yl)-1-(4-methoxyphenyl)ethanol?
1-(3-ethyl-1-benzothiophen-2-yl)-1-(4-methoxyphenyl)ethanol has a molecular weight of 312.43 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-benzothiophen-2-yl)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 12946619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).