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

C15H22O2S — CID 65446456

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-ol
SMILESCCCSCC(O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H22O2S/c1-2-9-18-11-14(16)5-3-12-4-6-15-13(10-12)7-8-17-15/h4,6,10,14,16H,2-3,5,7-9,11H2,1H3
InChIKeyIKWSZMMPWRRGSC-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.06
Rot. Bonds7

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

4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-ol (PubChem CID 65446456) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-ol.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-ol
PubChem CID65446456
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-ol
SMILESCCCSCC(O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H22O2S/c1-2-9-18-11-14(16)5-3-12-4-6-15-13(10-12)7-8-17-15/h4,6,10,14,16H,2-3,5,7-9,11H2,1H3
InChIKeyIKWSZMMPWRRGSC-UHFFFAOYSA-N
XLogP3.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol
CID 65446454
4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-amine
CID 65444965
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol
CID 105101130
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
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine
CID 105213803
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol
CID 65445470
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
4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine
CID 65445719

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-ol?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-ol (CID 65446456) is 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-ol.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-ol?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-ol is CCCSCC(O)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-ol?
The InChIKey is IKWSZMMPWRRGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c1-2-9-18-11-14(16)5-3-12-4-6-15-13(10-12)7-8-17-15/h4,6,10,14,16H,2-3,5,7-9,11H2,1H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-ol?
4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-ol has a molecular weight of 266.41 g/mol, XLogP of 3.06, 7 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-propylsulfanylbutan-2-ol is sourced from PubChem (CID 65446456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).