2-(6-methyl-5H-cyclohepta[b]thiophen-3-yl)ethanol

C12H14OS — CID 142472694

IUPAC2-(6-methyl-5H-cyclohepta[b]thiophen-3-yl)ethanol
SMILESCC1=CC=c2scc(CCO)c2=CC1
InChIInChI=1S/C12H14OS/c1-9-2-4-11-10(6-7-13)8-14-12(11)5-3-9/h3-5,8,13H,2,6-7H2,1H3
InChIKeyWAXVFHBLNSUSTC-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.19
Rot. Bonds2

About 2-(6-methyl-5H-cyclohepta[b]thiophen-3-yl)ethanol

2-(6-methyl-5H-cyclohepta[b]thiophen-3-yl)ethanol (PubChem CID 142472694) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(6-methyl-5H-cyclohepta[b]thiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(6-methyl-5H-cyclohepta[b]thiophen-3-yl)ethanol
PubChem CID142472694
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name2-(6-methyl-5H-cyclohepta[b]thiophen-3-yl)ethanol
SMILESCC1=CC=c2scc(CCO)c2=CC1
InChIInChI=1S/C12H14OS/c1-9-2-4-11-10(6-7-13)8-14-12(11)5-3-9/h3-5,8,13H,2,6-7H2,1H3
InChIKeyWAXVFHBLNSUSTC-UHFFFAOYSA-N
XLogP1.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dimethylidene-7-methylsulfanylnona-5,7-dien-1-ol
CID 123423530
3H-cyclopenta[c]thiophen-3-ylmethanol
CID 172817161
6-(2,6-Dimethylcyclohepta-1,3,6-trien-1-yl)sulfanylhexan-1-ol
CID 143618988

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5H-cyclohepta[b]thiophen-3-yl)ethanol?
The IUPAC name of 2-(6-methyl-5H-cyclohepta[b]thiophen-3-yl)ethanol (CID 142472694) is 2-(6-methyl-5H-cyclohepta[b]thiophen-3-yl)ethanol.
What is the SMILES notation for 2-(6-methyl-5H-cyclohepta[b]thiophen-3-yl)ethanol?
The canonical SMILES for 2-(6-methyl-5H-cyclohepta[b]thiophen-3-yl)ethanol is CC1=CC=c2scc(CCO)c2=CC1.
What is the InChIKey of 2-(6-methyl-5H-cyclohepta[b]thiophen-3-yl)ethanol?
The InChIKey is WAXVFHBLNSUSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c1-9-2-4-11-10(6-7-13)8-14-12(11)5-3-9/h3-5,8,13H,2,6-7H2,1H3.
What are the key properties of 2-(6-methyl-5H-cyclohepta[b]thiophen-3-yl)ethanol?
2-(6-methyl-5H-cyclohepta[b]thiophen-3-yl)ethanol has a molecular weight of 206.31 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5H-cyclohepta[b]thiophen-3-yl)ethanol is sourced from PubChem (CID 142472694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).