1-(5-methylfuran-2-yl)-2-(5-prop-2-enylfuran-3-yl)ethane-1,2-diol

C14H16O4 — CID 57196583

IUPAC1-(5-methylfuran-2-yl)-2-(5-prop-2-enylfuran-3-yl)ethane-1,2-diol
SMILESC=CCc1cc(C(O)C(O)c2ccc(C)o2)co1
InChIInChI=1S/C14H16O4/c1-3-4-11-7-10(8-17-11)13(15)14(16)12-6-5-9(2)18-12/h3,5-8,13-16H,1,4H2,2H3
InChIKeyOEORQVSDHBNHJX-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.68
Rot. Bonds5

About 1-(5-methylfuran-2-yl)-2-(5-prop-2-enylfuran-3-yl)ethane-1,2-diol

1-(5-methylfuran-2-yl)-2-(5-prop-2-enylfuran-3-yl)ethane-1,2-diol (PubChem CID 57196583) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-2-(5-prop-2-enylfuran-3-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-2-(5-prop-2-enylfuran-3-yl)ethane-1,2-diol
PubChem CID57196583
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name1-(5-methylfuran-2-yl)-2-(5-prop-2-enylfuran-3-yl)ethane-1,2-diol
SMILESC=CCc1cc(C(O)C(O)c2ccc(C)o2)co1
InChIInChI=1S/C14H16O4/c1-3-4-11-7-10(8-17-11)13(15)14(16)12-6-5-9(2)18-12/h3,5-8,13-16H,1,4H2,2H3
InChIKeyOEORQVSDHBNHJX-UHFFFAOYSA-N
XLogP2.68
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-(5-methylfuran-2-yl)but-3-en-1-ol
CID 142810429
1-(5-methylfuran-3-yl)but-3-ene-1,2-diol
CID 130149487
4-(3,5-dimethylphenyl)-2-prop-2-enylfuran
CID 135042233
(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)but-3-en-1-ol
CID 45139861
tri(propan-2-yl)-[(5-prop-2-enylfuran-3-yl)methoxy]silane
CID 134907221
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820177
1-(5-methylfuran-2-yl)propan-1-ol
CID 14570731
N-[1-(5-methylfuran-2-yl)ethyl]prop-2-en-1-amine
CID 43177065
2-methyl-1-(5-methylfuran-3-yl)butan-1-ol
CID 115823362
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820178
3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
CID 65190027
(3,5-dichlorophenyl)-(5-methylfuran-2-yl)methanol
CID 91656275

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-2-(5-prop-2-enylfuran-3-yl)ethane-1,2-diol?
The IUPAC name of 1-(5-methylfuran-2-yl)-2-(5-prop-2-enylfuran-3-yl)ethane-1,2-diol (CID 57196583) is 1-(5-methylfuran-2-yl)-2-(5-prop-2-enylfuran-3-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-2-(5-prop-2-enylfuran-3-yl)ethane-1,2-diol?
The canonical SMILES for 1-(5-methylfuran-2-yl)-2-(5-prop-2-enylfuran-3-yl)ethane-1,2-diol is C=CCc1cc(C(O)C(O)c2ccc(C)o2)co1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-2-(5-prop-2-enylfuran-3-yl)ethane-1,2-diol?
The InChIKey is OEORQVSDHBNHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-3-4-11-7-10(8-17-11)13(15)14(16)12-6-5-9(2)18-12/h3,5-8,13-16H,1,4H2,2H3.
What are the key properties of 1-(5-methylfuran-2-yl)-2-(5-prop-2-enylfuran-3-yl)ethane-1,2-diol?
1-(5-methylfuran-2-yl)-2-(5-prop-2-enylfuran-3-yl)ethane-1,2-diol has a molecular weight of 248.28 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-2-(5-prop-2-enylfuran-3-yl)ethane-1,2-diol is sourced from PubChem (CID 57196583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).