(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethane-1,2-diol

C10H12O3 — CID 101000243

IUPAC(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethane-1,2-diol
SMILESOC[C@@H](O)c1cccc2c1CCO2
InChIInChI=1S/C10H12O3/c11-6-9(12)7-2-1-3-10-8(7)4-5-13-10/h1-3,9,11-12H,4-6H2/t9-/m1/s1
InChIKeyGISHMZNHTLGCGK-SECBINFHSA-N
MW180.20 g/mol
LogP0.65
Rot. Bonds2

About (1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethane-1,2-diol

(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethane-1,2-diol (PubChem CID 101000243) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethane-1,2-diol
PubChem CID101000243
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethane-1,2-diol
SMILESOC[C@@H](O)c1cccc2c1CCO2
InChIInChI=1S/C10H12O3/c11-6-9(12)7-2-1-3-10-8(7)4-5-13-10/h1-3,9,11-12H,4-6H2/t9-/m1/s1
InChIKeyGISHMZNHTLGCGK-SECBINFHSA-N
XLogP0.65
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 37369
Varitriol
CID 636888
2,3-Dihydro-5-hydroxybenzo(b)furan
CID 11126311
Ustusorane E
CID 44557648
6-Propyl-2,3-dihydro-1-benzofuran-5-ol
CID 5324657
Asperfuran
CID 11969970
(2,3-Dihydro-1-benzofuran-5-yl)methanol
CID 2776158
2,5-Dimethoxyphenethyl alcohol
CID 81910
Propranolol glycol, (-)-
CID 6604764
(2R)-2-[(1E,3E)-5-hydroxypenta-1,3-dienyl]-2,3-dihydro-1-benzofuran-5,7-diol
CID 24039302
L 651896
CID 6438824
2-Phenethyl-2,3-dihydrobenzofuran-5-ol
CID 9881247

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethane-1,2-diol?
The IUPAC name of (1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethane-1,2-diol (CID 101000243) is (1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethane-1,2-diol.
What is the SMILES notation for (1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethane-1,2-diol?
The canonical SMILES for (1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethane-1,2-diol is OC[C@@H](O)c1cccc2c1CCO2.
What is the InChIKey of (1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethane-1,2-diol?
The InChIKey is GISHMZNHTLGCGK-SECBINFHSA-N. The full InChI is InChI=1S/C10H12O3/c11-6-9(12)7-2-1-3-10-8(7)4-5-13-10/h1-3,9,11-12H,4-6H2/t9-/m1/s1.
What are the key properties of (1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethane-1,2-diol?
(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethane-1,2-diol has a molecular weight of 180.20 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethane-1,2-diol is sourced from PubChem (CID 101000243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).