1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol

C15H16O2S — CID 105130684

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)c1cccc2c1OCCC2
InChIInChI=1S/C15H16O2S/c16-14(9-11-6-8-18-10-11)13-5-1-3-12-4-2-7-17-15(12)13/h1,3,5-6,8,10,14,16H,2,4,7,9H2
InChIKeyRJLRYWWIVMIPCD-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.35
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol

1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol (PubChem CID 105130684) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol
PubChem CID105130684
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)c1cccc2c1OCCC2
InChIInChI=1S/C15H16O2S/c16-14(9-11-6-8-18-10-11)13-5-1-3-12-4-2-7-17-15(12)13/h1,3,5-6,8,10,14,16H,2,4,7,9H2
InChIKeyRJLRYWWIVMIPCD-UHFFFAOYSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol 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-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105187245
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol
CID 114744473
1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol
CID 114744719
2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol
CID 114744615
N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine
CID 114744967
2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol
CID 114743275
1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol
CID 114744556
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol
CID 114747435
1-(3,4-dihydro-2H-chromen-8-yl)butane-1,2-diol
CID 103454473
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 114744440
1-(3,4-dihydro-2H-chromen-8-yl)-2-(oxan-2-yl)ethanol
CID 114744756

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol (CID 105130684) is 1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol is OC(Cc1ccsc1)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol?
The InChIKey is RJLRYWWIVMIPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c16-14(9-11-6-8-18-10-11)13-5-1-3-12-4-2-7-17-15(12)13/h1,3,5-6,8,10,14,16H,2,4,7,9H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol?
1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol has a molecular weight of 260.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 105130684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).