4-(2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)phenol;hydrochloride

C15H18ClNOS — CID 54581729

IUPAC4-(2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)phenol;hydrochloride
SMILESCc1cc2c(s1)CN(C)CC2c1ccc(O)cc1.Cl
InChIInChI=1S/C15H17NOS.ClH/c1-10-7-13-14(8-16(2)9-15(13)18-10)11-3-5-12(17)6-4-11;/h3-7,14,17H,8-9H2,1-2H3;1H
InChIKeyYMJQWPIUBIYCSK-UHFFFAOYSA-N
MW295.83 g/mol
LogP3.76
Rot. Bonds1

About 4-(2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)phenol;hydrochloride

4-(2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)phenol;hydrochloride (PubChem CID 54581729) has the molecular formula C15H18ClNOS and a molecular weight of 295.83 g/mol. Its IUPAC name is 4-(2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)phenol;hydrochloride.

Molecular Properties

Compound Name4-(2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)phenol;hydrochloride
PubChem CID54581729
Molecular FormulaC15H18ClNOS
Molecular Weight295.83 g/mol
Exact Mass295.08
IUPAC Name4-(2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)phenol;hydrochloride
SMILESCc1cc2c(s1)CN(C)CC2c1ccc(O)cc1.Cl
InChIInChI=1S/C15H17NOS.ClH/c1-10-7-13-14(8-16(2)9-15(13)18-10)11-3-5-12(17)6-4-11;/h3-7,14,17H,8-9H2,1-2H3;1H
InChIKeyYMJQWPIUBIYCSK-UHFFFAOYSA-N
XLogP3.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)phenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)phenol;hydrochloride?
The IUPAC name of 4-(2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)phenol;hydrochloride (CID 54581729) is 4-(2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)phenol;hydrochloride.
What is the SMILES notation for 4-(2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)phenol;hydrochloride?
The canonical SMILES for 4-(2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)phenol;hydrochloride is Cc1cc2c(s1)CN(C)CC2c1ccc(O)cc1.Cl.
What is the InChIKey of 4-(2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)phenol;hydrochloride?
The InChIKey is YMJQWPIUBIYCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS.ClH/c1-10-7-13-14(8-16(2)9-15(13)18-10)11-3-5-12(17)6-4-11;/h3-7,14,17H,8-9H2,1-2H3;1H.
What are the key properties of 4-(2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)phenol;hydrochloride?
4-(2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)phenol;hydrochloride has a molecular weight of 295.83 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)phenol;hydrochloride is sourced from PubChem (CID 54581729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).