1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol

C18H20O2S — CID 105083639

IUPAC1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)C1CSc2ccccc21
InChIInChI=1S/C18H20O2S/c1-12-7-8-17(20-2)13(9-12)10-16(19)15-11-21-18-6-4-3-5-14(15)18/h3-9,15-16,19H,10-11H2,1-2H3
InChIKeyAKXCFPISQRNRJF-UHFFFAOYSA-N
MW300.42 g/mol
LogP3.80
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol

1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 105083639) has the molecular formula C18H20O2S and a molecular weight of 300.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol
PubChem CID105083639
Molecular FormulaC18H20O2S
Molecular Weight300.42 g/mol
Exact Mass300.12
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)C1CSc2ccccc21
InChIInChI=1S/C18H20O2S/c1-12-7-8-17(20-2)13(9-12)10-16(19)15-11-21-18-6-4-3-5-14(15)18/h3-9,15-16,19H,10-11H2,1-2H3
InChIKeyAKXCFPISQRNRJF-UHFFFAOYSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol with MolForge

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

Launch Full Analysis

Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 64986723
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethanol
CID 64987117
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 103053466
1-(3-bicyclo[3.1.0]hexanyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 115781398
2-(2-methoxy-5-methylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 62159658
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methoxy-5-methylaniline
CID 79223316
1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 105083584
1-(3-ethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65401725
2-(2-methoxy-5-methylphenyl)-1-(1-phenylcyclopropyl)ethanol
CID 63078954
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63895079
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 105108225
2,3-dihydro-1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176556

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol (CID 105083639) is 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol is COc1ccc(C)cc1CC(O)C1CSc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is AKXCFPISQRNRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2S/c1-12-7-8-17(20-2)13(9-12)10-16(19)15-11-21-18-6-4-3-5-14(15)18/h3-9,15-16,19H,10-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol?
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol has a molecular weight of 300.42 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 105083639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).