1-(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-3-yl)ethenol

C12H16OS — CID 130239610

IUPAC1-(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-3-yl)ethenol
SMILESC=C(O)c1csc2c1CC(C)(C)CC2
InChIInChI=1S/C12H16OS/c1-8(13)10-7-14-11-4-5-12(2,3)6-9(10)11/h7,13H,1,4-6H2,2-3H3
InChIKeyHGSFBQXFCXODGW-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.79
Rot. Bonds1

About 1-(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-3-yl)ethenol

1-(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-3-yl)ethenol (PubChem CID 130239610) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-3-yl)ethenol.

Molecular Properties

Compound Name1-(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-3-yl)ethenol
PubChem CID130239610
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name1-(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-3-yl)ethenol
SMILESC=C(O)c1csc2c1CC(C)(C)CC2
InChIInChI=1S/C12H16OS/c1-8(13)10-7-14-11-4-5-12(2,3)6-9(10)11/h7,13H,1,4-6H2,2-3H3
InChIKeyHGSFBQXFCXODGW-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

cyclopentane;formic acid;methanamine;3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophene
CID 145031268
methyl 6,6-dimethyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate
CID 114748196
1-[5,5-dimethyl-2-[1-(sulfanylamino)ethenyl]-6,7-dihydro-4H-1-benzothiophen-3-yl]ethenol
CID 130239519
1-[2-[2-(aminomethyl)phenyl]-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-3-yl]ethenol
CID 130240773
6,6-dimethyl-5,7-dihydro-4H-2-benzothiophene-1-carboxylic acid
CID 83680915
5,5-dimethyl-2-[(3Z)-penta-1,3-dien-2-yl]-6,7-dihydro-4H-1-benzothiophene-3-carboxylic acid
CID 130240126
1-[5,5-dimethyl-2-[4-methyl-2-[(sulfanylamino)methyl]phenyl]-6,7-dihydro-4H-1-benzothiophen-3-yl]ethenol
CID 130239704
N-(5,5-dimethyl-3-prop-1-en-2-yl-6,7-dihydro-4H-1-benzothiophen-2-yl)formamide
CID 130239785
1-[5,5-dimethyl-2-[2-(2-sulfanylethyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-1-benzothiophen-3-yl]ethenol
CID 130239967
3,5,5-trimethyl-2-[4-(4-methylphenyl)phenyl]-6,7-dihydro-4H-1-benzothiophene
CID 145031429
6,6-dimethyl-N-(4-phenoxyphenyl)sulfonyl-5,7-dihydro-4H-1-benzothiophene-3-carboxamide
CID 166323322
2-(2-aminopyrimidin-5-yl)-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-3-carboxylic acid
CID 145031550

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-3-yl)ethenol?
The IUPAC name of 1-(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-3-yl)ethenol (CID 130239610) is 1-(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-3-yl)ethenol.
What is the SMILES notation for 1-(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-3-yl)ethenol?
The canonical SMILES for 1-(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-3-yl)ethenol is C=C(O)c1csc2c1CC(C)(C)CC2.
What is the InChIKey of 1-(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-3-yl)ethenol?
The InChIKey is HGSFBQXFCXODGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-8(13)10-7-14-11-4-5-12(2,3)6-9(10)11/h7,13H,1,4-6H2,2-3H3.
What are the key properties of 1-(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-3-yl)ethenol?
1-(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-3-yl)ethenol has a molecular weight of 208.33 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-3-yl)ethenol is sourced from PubChem (CID 130239610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).