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

C14H20O4S — CID 115803705

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-4-ethylsulfonylbutan-1-ol
SMILESCCS(=O)(=O)CCCC(O)c1ccc2c(c1)COC2
InChIInChI=1S/C14H20O4S/c1-2-19(16,17)7-3-4-14(15)11-5-6-12-9-18-10-13(12)8-11/h5-6,8,14-15H,2-4,7,9-10H2,1H3
InChIKeyTXHULJGQRLLDKG-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.97
Rot. Bonds6

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

1-(1,3-dihydro-2-benzofuran-5-yl)-4-ethylsulfonylbutan-1-ol (PubChem CID 115803705) has the molecular formula C14H20O4S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-4-ethylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-4-ethylsulfonylbutan-1-ol
PubChem CID115803705
Molecular FormulaC14H20O4S
Molecular Weight284.38 g/mol
Exact Mass284.11
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-4-ethylsulfonylbutan-1-ol
SMILESCCS(=O)(=O)CCCC(O)c1ccc2c(c1)COC2
InChIInChI=1S/C14H20O4S/c1-2-19(16,17)7-3-4-14(15)11-5-6-12-9-18-10-13(12)8-11/h5-6,8,14-15H,2-4,7,9-10H2,1H3
InChIKeyTXHULJGQRLLDKG-UHFFFAOYSA-N
XLogP1.97
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-4-methylsulfonylbutan-1-amine
CID 115820724
1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol
CID 63019372
1-[4-(difluoromethyl)phenyl]-4-ethylsulfonylbutan-1-ol
CID 115524970
ethyl 2-(1,3-dihydro-2-benzofuran-5-yl)-2-hydroxyacetate
CID 117317830
1-(3,5-difluorophenyl)-4-ethylsulfonylbutan-1-ol
CID 65095439
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine
CID 55145401
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837988
1-(1,3-dihydro-2-benzofuran-5-yl)octan-1-amine
CID 63020921
2-(3,5-difluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 105412803
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol
CID 65158240
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol
CID 63021652
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine
CID 55145403

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-4-ethylsulfonylbutan-1-ol?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-4-ethylsulfonylbutan-1-ol (CID 115803705) is 1-(1,3-dihydro-2-benzofuran-5-yl)-4-ethylsulfonylbutan-1-ol.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-4-ethylsulfonylbutan-1-ol?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-4-ethylsulfonylbutan-1-ol is CCS(=O)(=O)CCCC(O)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-4-ethylsulfonylbutan-1-ol?
The InChIKey is TXHULJGQRLLDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4S/c1-2-19(16,17)7-3-4-14(15)11-5-6-12-9-18-10-13(12)8-11/h5-6,8,14-15H,2-4,7,9-10H2,1H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-4-ethylsulfonylbutan-1-ol?
1-(1,3-dihydro-2-benzofuran-5-yl)-4-ethylsulfonylbutan-1-ol has a molecular weight of 284.38 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-4-ethylsulfonylbutan-1-ol is sourced from PubChem (CID 115803705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).