4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol

C14H20O2S — CID 65446454

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol
SMILESCCSCC(O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C14H20O2S/c1-2-17-10-13(15)5-3-11-4-6-14-12(9-11)7-8-16-14/h4,6,9,13,15H,2-3,5,7-8,10H2,1H3
InChIKeyGHAFTAYRDQHSND-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.67
Rot. Bonds6

About 4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol

4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol (PubChem CID 65446454) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol
PubChem CID65446454
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol
SMILESCCSCC(O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C14H20O2S/c1-2-17-10-13(15)5-3-11-4-6-14-12(9-11)7-8-16-14/h4,6,9,13,15H,2-3,5,7-8,10H2,1H3
InChIKeyGHAFTAYRDQHSND-UHFFFAOYSA-N
XLogP2.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-ol
CID 65446456
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol
CID 105101130
4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-amine
CID 65444965
1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-5-methylhexan-3-ol
CID 105101212
1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol
CID 102927687
1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol
CID 65447392
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol
CID 65445470
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine
CID 105213803
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-ethylcyclopentyl)propan-1-ol
CID 115802827
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol
CID 105101240
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)butan-2-ol
CID 103560129
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine
CID 65444946

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol (CID 65446454) is 4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol is CCSCC(O)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol?
The InChIKey is GHAFTAYRDQHSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c1-2-17-10-13(15)5-3-11-4-6-14-12(9-11)7-8-16-14/h4,6,9,13,15H,2-3,5,7-8,10H2,1H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol?
4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol has a molecular weight of 252.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol is sourced from PubChem (CID 65446454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).