4-(2-thiophen-3-ylethyl)-6,7-dihydro-5H-1-benzofuran-4-ol

C14H16O2S — CID 113315334

IUPAC4-(2-thiophen-3-ylethyl)-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESOC1(CCc2ccsc2)CCCc2occc21
InChIInChI=1S/C14H16O2S/c15-14(7-3-11-5-9-17-10-11)6-1-2-13-12(14)4-8-16-13/h4-5,8-10,15H,1-3,6-7H2
InChIKeyRAMLNQNBNJCQKL-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.50
Rot. Bonds3

About 4-(2-thiophen-3-ylethyl)-6,7-dihydro-5H-1-benzofuran-4-ol

4-(2-thiophen-3-ylethyl)-6,7-dihydro-5H-1-benzofuran-4-ol (PubChem CID 113315334) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-(2-thiophen-3-ylethyl)-6,7-dihydro-5H-1-benzofuran-4-ol.

Molecular Properties

Compound Name4-(2-thiophen-3-ylethyl)-6,7-dihydro-5H-1-benzofuran-4-ol
PubChem CID113315334
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name4-(2-thiophen-3-ylethyl)-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESOC1(CCc2ccsc2)CCCc2occc21
InChIInChI=1S/C14H16O2S/c15-14(7-3-11-5-9-17-10-11)6-1-2-13-12(14)4-8-16-13/h4-5,8-10,15H,1-3,6-7H2
InChIKeyRAMLNQNBNJCQKL-UHFFFAOYSA-N
XLogP3.50
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-thiophen-3-yl-6,7-dihydro-5H-1-benzofuran-4-ol
CID 115467108
N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]furan-2-carboxamide
CID 134161530
1-(2-thiophen-3-ylethyl)cyclopropan-1-amine
CID 66025535
N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
CID 134160606
3-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene
CID 66033638
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-thiophen-3-ylpropanamide
CID 86923897
[2-(2-thiophen-3-ylethyl)thiolan-2-yl]methanamine
CID 83173755
N-[[(4S)-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl]methyl]-2-methylpropane-1-sulfonamide
CID 164637057
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 115467078
3-[2-[1-(bromomethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene
CID 66049211
2,2-dimethyl-4-(2-thiophen-3-ylethyl)oxan-4-ol
CID 65149154
3-methyl-1-(2-thiophen-3-ylethyl)cyclopentan-1-ol
CID 65154208

Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-3-ylethyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The IUPAC name of 4-(2-thiophen-3-ylethyl)-6,7-dihydro-5H-1-benzofuran-4-ol (CID 113315334) is 4-(2-thiophen-3-ylethyl)-6,7-dihydro-5H-1-benzofuran-4-ol.
What is the SMILES notation for 4-(2-thiophen-3-ylethyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The canonical SMILES for 4-(2-thiophen-3-ylethyl)-6,7-dihydro-5H-1-benzofuran-4-ol is OC1(CCc2ccsc2)CCCc2occc21.
What is the InChIKey of 4-(2-thiophen-3-ylethyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The InChIKey is RAMLNQNBNJCQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S/c15-14(7-3-11-5-9-17-10-11)6-1-2-13-12(14)4-8-16-13/h4-5,8-10,15H,1-3,6-7H2.
What are the key properties of 4-(2-thiophen-3-ylethyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
4-(2-thiophen-3-ylethyl)-6,7-dihydro-5H-1-benzofuran-4-ol has a molecular weight of 248.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-3-ylethyl)-6,7-dihydro-5H-1-benzofuran-4-ol is sourced from PubChem (CID 113315334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).