4-(2-hydroxyethoxy)-6,7-dihydro-5H-1-benzothiophene-4-carbonitrile

C11H13NO2S — CID 103376011

IUPAC4-(2-hydroxyethoxy)-6,7-dihydro-5H-1-benzothiophene-4-carbonitrile
SMILESN#CC1(OCCO)CCCc2sccc21
InChIInChI=1S/C11H13NO2S/c12-8-11(14-6-5-13)4-1-2-10-9(11)3-7-15-10/h3,7,13H,1-2,4-6H2
InChIKeyGCUJWCDHZACHBL-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.81
Rot. Bonds3

About 4-(2-hydroxyethoxy)-6,7-dihydro-5H-1-benzothiophene-4-carbonitrile

4-(2-hydroxyethoxy)-6,7-dihydro-5H-1-benzothiophene-4-carbonitrile (PubChem CID 103376011) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-6,7-dihydro-5H-1-benzothiophene-4-carbonitrile.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-6,7-dihydro-5H-1-benzothiophene-4-carbonitrile
PubChem CID103376011
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name4-(2-hydroxyethoxy)-6,7-dihydro-5H-1-benzothiophene-4-carbonitrile
SMILESN#CC1(OCCO)CCCc2sccc21
InChIInChI=1S/C11H13NO2S/c12-8-11(14-6-5-13)4-1-2-10-9(11)3-7-15-10/h3,7,13H,1-2,4-6H2
InChIKeyGCUJWCDHZACHBL-UHFFFAOYSA-N
XLogP1.81
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carbonitrile
CID 107150380
4-(4-bromoanilino)-6,7-dihydro-5H-1-benzothiophene-4-carbonitrile
CID 62841455
4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol
CID 86218651
(4S)-4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol
CID 129386416
4-(2-fluoroanilino)-6,7-dihydro-5H-1-benzothiophene-4-carbonitrile
CID 62842154
4-(ethylamino)-6,7-dihydro-5H-1-benzothiophene-4-carboxamide
CID 62841107
4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene
CID 176926906
1-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 114277353
2'-ethylspiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine]
CID 62841110
4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1-benzothiophen-4-ol
CID 69416782
4-[2-(dimethylamino)ethylamino]-6,7-dihydro-5H-1-benzothiophene-4-carboxamide
CID 62841109
N-[(3-bromothiophen-2-yl)methyl]-1-cyanocyclobutane-1-carboxamide
CID 78994573

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-6,7-dihydro-5H-1-benzothiophene-4-carbonitrile?
The IUPAC name of 4-(2-hydroxyethoxy)-6,7-dihydro-5H-1-benzothiophene-4-carbonitrile (CID 103376011) is 4-(2-hydroxyethoxy)-6,7-dihydro-5H-1-benzothiophene-4-carbonitrile.
What is the SMILES notation for 4-(2-hydroxyethoxy)-6,7-dihydro-5H-1-benzothiophene-4-carbonitrile?
The canonical SMILES for 4-(2-hydroxyethoxy)-6,7-dihydro-5H-1-benzothiophene-4-carbonitrile is N#CC1(OCCO)CCCc2sccc21.
What is the InChIKey of 4-(2-hydroxyethoxy)-6,7-dihydro-5H-1-benzothiophene-4-carbonitrile?
The InChIKey is GCUJWCDHZACHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c12-8-11(14-6-5-13)4-1-2-10-9(11)3-7-15-10/h3,7,13H,1-2,4-6H2.
What are the key properties of 4-(2-hydroxyethoxy)-6,7-dihydro-5H-1-benzothiophene-4-carbonitrile?
4-(2-hydroxyethoxy)-6,7-dihydro-5H-1-benzothiophene-4-carbonitrile has a molecular weight of 223.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-6,7-dihydro-5H-1-benzothiophene-4-carbonitrile is sourced from PubChem (CID 103376011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).