1-[4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]ethanol

C17H18O2S — CID 66365412

IUPAC1-[4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]ethanol
SMILESCC(O)c1ccc(SCC2Cc3ccccc3O2)cc1
InChIInChI=1S/C17H18O2S/c1-12(18)13-6-8-16(9-7-13)20-11-15-10-14-4-2-3-5-17(14)19-15/h2-9,12,15,18H,10-11H2,1H3
InChIKeyLBUMDDVXVASWGP-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.84
Rot. Bonds4

About 1-[4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]ethanol

1-[4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]ethanol (PubChem CID 66365412) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]ethanol
PubChem CID66365412
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name1-[4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]ethanol
SMILESCC(O)c1ccc(SCC2Cc3ccccc3O2)cc1
InChIInChI=1S/C17H18O2S/c1-12(18)13-6-8-16(9-7-13)20-11-15-10-14-4-2-3-5-17(14)19-15/h2-9,12,15,18H,10-11H2,1H3
InChIKeyLBUMDDVXVASWGP-UHFFFAOYSA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]ethanol 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-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanol
CID 66364563
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
N-[[3-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]methyl]ethanamine
CID 66365411
2-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)aniline
CID 79149379
4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol
CID 66363239
3-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)butanoic acid
CID 66348378
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol
CID 66363821
5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 147180543
(1S)-1-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]phenyl]ethanol
CID 70485072
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 61004141
5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine
CID 66364362
5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol
CID 66365997

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]ethanol?
The IUPAC name of 1-[4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]ethanol (CID 66365412) is 1-[4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 1-[4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]ethanol?
The canonical SMILES for 1-[4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]ethanol is CC(O)c1ccc(SCC2Cc3ccccc3O2)cc1.
What is the InChIKey of 1-[4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]ethanol?
The InChIKey is LBUMDDVXVASWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c1-12(18)13-6-8-16(9-7-13)20-11-15-10-14-4-2-3-5-17(14)19-15/h2-9,12,15,18H,10-11H2,1H3.
What are the key properties of 1-[4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]ethanol?
1-[4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]ethanol has a molecular weight of 286.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 66365412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).