4-(1,2-dihydroxyethyl)chromen-2-one

C11H10O4 — CID 175926732

IUPAC4-(1,2-dihydroxyethyl)chromen-2-one
SMILESO=c1cc(C(O)CO)c2ccccc2o1
InChIInChI=1S/C11H10O4/c12-6-9(13)8-5-11(14)15-10-4-2-1-3-7(8)10/h1-5,9,12-13H,6H2
InChIKeyFVPFAHPPNDMETB-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.82
Rot. Bonds2

About 4-(1,2-dihydroxyethyl)chromen-2-one

4-(1,2-dihydroxyethyl)chromen-2-one (PubChem CID 175926732) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4-(1,2-dihydroxyethyl)chromen-2-one.

Molecular Properties

Compound Name4-(1,2-dihydroxyethyl)chromen-2-one
PubChem CID175926732
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name4-(1,2-dihydroxyethyl)chromen-2-one
SMILESO=c1cc(C(O)CO)c2ccccc2o1
InChIInChI=1S/C11H10O4/c12-6-9(13)8-5-11(14)15-10-4-2-1-3-7(8)10/h1-5,9,12-13H,6H2
InChIKeyFVPFAHPPNDMETB-UHFFFAOYSA-N
XLogP0.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-hydroxyethylsulfanyl)chromen-2-one
CID 119082990
4-ethoxychromen-2-one
CID 688703
4-(4-hydroxyphenyl)chromen-2-one
CID 87209427
(2-oxochromen-4-yl) 2,2-dichloroacetate
CID 119090067
(2-oxochromen-4-yl) 2-bromoacetate
CID 71403305
(2-oxochromen-4-yl)methylphosphonic acid
CID 138756323
4-(2-chloroprop-2-enylsulfanyl)chromen-2-one
CID 12995365
2-(hydroxymethyl)chromen-4-one
CID 12536095
4-prop-2-enylchromen-2-one
CID 87576645
4-[(E)-hydroxyiminomethyl]chromen-2-one
CID 15358086
dimethyltin;4-methylchromen-2-one
CID 175284443
N-hydroxy-N'-(2-hydroxyethyl)-2-oxochromene-4-carboximidamide
CID 10776918

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dihydroxyethyl)chromen-2-one?
The IUPAC name of 4-(1,2-dihydroxyethyl)chromen-2-one (CID 175926732) is 4-(1,2-dihydroxyethyl)chromen-2-one.
What is the SMILES notation for 4-(1,2-dihydroxyethyl)chromen-2-one?
The canonical SMILES for 4-(1,2-dihydroxyethyl)chromen-2-one is O=c1cc(C(O)CO)c2ccccc2o1.
What is the InChIKey of 4-(1,2-dihydroxyethyl)chromen-2-one?
The InChIKey is FVPFAHPPNDMETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c12-6-9(13)8-5-11(14)15-10-4-2-1-3-7(8)10/h1-5,9,12-13H,6H2.
What are the key properties of 4-(1,2-dihydroxyethyl)chromen-2-one?
4-(1,2-dihydroxyethyl)chromen-2-one has a molecular weight of 206.20 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dihydroxyethyl)chromen-2-one is sourced from PubChem (CID 175926732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).