1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol

C12H16O3 — CID 103454434

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
SMILESCCC(O)C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H16O3/c1-2-10(13)12(14)9-3-4-11-8(7-9)5-6-15-11/h3-4,7,10,12-14H,2,5-6H2,1H3
InChIKeyPMTCHWWEZZNNER-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.43
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol

1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol (PubChem CID 103454434) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
PubChem CID103454434
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
SMILESCCC(O)C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H16O3/c1-2-10(13)12(14)9-3-4-11-8(7-9)5-6-15-11/h3-4,7,10,12-14H,2,5-6H2,1H3
InChIKeyPMTCHWWEZZNNER-UHFFFAOYSA-N
XLogP1.43
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol 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-(2,3-dihydro-1-benzofuran-5-yl)-3-sulfanylpropane-1,2-diol
CID 170820027
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(methylamino)butane-1,2-diol
CID 171890368
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
3-(2,3-dihydro-1-benzofuran-5-yl)-3-hydroxy-2-methylpropanenitrile
CID 79131894
4-azido-1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
CID 171879616
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol
CID 61099414
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine
CID 43198449
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyethanol
CID 79567949
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-2,3-dihydroxypropanoate
CID 171864210

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol (CID 103454434) is 1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol is CCC(O)C(O)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol?
The InChIKey is PMTCHWWEZZNNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-2-10(13)12(14)9-3-4-11-8(7-9)5-6-15-11/h3-4,7,10,12-14H,2,5-6H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol?
1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol has a molecular weight of 208.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol is sourced from PubChem (CID 103454434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).