2-(1-benzothiophen-7-yl)-1-methoxy-3-methylbutan-2-ol

C14H18O2S — CID 81142684

IUPAC2-(1-benzothiophen-7-yl)-1-methoxy-3-methylbutan-2-ol
SMILESCOCC(O)(c1cccc2ccsc12)C(C)C
InChIInChI=1S/C14H18O2S/c1-10(2)14(15,9-16-3)12-6-4-5-11-7-8-17-13(11)12/h4-8,10,15H,9H2,1-3H3
InChIKeyWTEVATGSFLSUJX-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.39
Rot. Bonds4

About 2-(1-benzothiophen-7-yl)-1-methoxy-3-methylbutan-2-ol

2-(1-benzothiophen-7-yl)-1-methoxy-3-methylbutan-2-ol (PubChem CID 81142684) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(1-benzothiophen-7-yl)-1-methoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-(1-benzothiophen-7-yl)-1-methoxy-3-methylbutan-2-ol
PubChem CID81142684
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name2-(1-benzothiophen-7-yl)-1-methoxy-3-methylbutan-2-ol
SMILESCOCC(O)(c1cccc2ccsc12)C(C)C
InChIInChI=1S/C14H18O2S/c1-10(2)14(15,9-16-3)12-6-4-5-11-7-8-17-13(11)12/h4-8,10,15H,9H2,1-3H3
InChIKeyWTEVATGSFLSUJX-UHFFFAOYSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-7-yl)-1-methoxy-3-methylbutan-2-ol?
The IUPAC name of 2-(1-benzothiophen-7-yl)-1-methoxy-3-methylbutan-2-ol (CID 81142684) is 2-(1-benzothiophen-7-yl)-1-methoxy-3-methylbutan-2-ol.
What is the SMILES notation for 2-(1-benzothiophen-7-yl)-1-methoxy-3-methylbutan-2-ol?
The canonical SMILES for 2-(1-benzothiophen-7-yl)-1-methoxy-3-methylbutan-2-ol is COCC(O)(c1cccc2ccsc12)C(C)C.
What is the InChIKey of 2-(1-benzothiophen-7-yl)-1-methoxy-3-methylbutan-2-ol?
The InChIKey is WTEVATGSFLSUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2S/c1-10(2)14(15,9-16-3)12-6-4-5-11-7-8-17-13(11)12/h4-8,10,15H,9H2,1-3H3.
What are the key properties of 2-(1-benzothiophen-7-yl)-1-methoxy-3-methylbutan-2-ol?
2-(1-benzothiophen-7-yl)-1-methoxy-3-methylbutan-2-ol has a molecular weight of 250.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-7-yl)-1-methoxy-3-methylbutan-2-ol is sourced from PubChem (CID 81142684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).