4-hydroxy-3-prop-2-enylchromen-2-one

C12H10O3 — CID 54710499

IUPAC4-hydroxy-3-prop-2-enylchromen-2-one
SMILESC=CCc1c(O)c2ccccc2oc1=O
InChIInChI=1S/C12H10O3/c1-2-5-9-11(13)8-6-3-4-7-10(8)15-12(9)14/h2-4,6-7,13H,1,5H2
InChIKeyBCCWACMEIIKOKZ-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.23
Rot. Bonds2

About 4-hydroxy-3-prop-2-enylchromen-2-one

4-hydroxy-3-prop-2-enylchromen-2-one (PubChem CID 54710499) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-hydroxy-3-prop-2-enylchromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-prop-2-enylchromen-2-one
PubChem CID54710499
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name4-hydroxy-3-prop-2-enylchromen-2-one
SMILESC=CCc1c(O)c2ccccc2oc1=O
InChIInChI=1S/C12H10O3/c1-2-5-9-11(13)8-6-3-4-7-10(8)15-12(9)14/h2-4,6-7,13H,1,5H2
InChIKeyBCCWACMEIIKOKZ-UHFFFAOYSA-N
XLogP2.23
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-(3-methylbut-2-enyl)chromen-2-one
CID 54706607
4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one
CID 54677997
4-but-3-enoxy-3-prop-2-enylchromen-2-one
CID 11230601
4-hydroxy-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)chromen-2-one
CID 54683686
4-hydroxy-3-[[3-[(4-hydroxy-2-oxochromen-3-yl)methyl]phenyl]methyl]chromen-2-one
CID 54706563
3-benzyl-4-hydroxychromen-2-one;ethane
CID 91487265
2-[(4-hydroxy-2-oxochromen-3-yl)methyl]isoindole-1,3-dione
CID 54676492
(3-prop-2-enyl-1-benzofuran-2-yl)carbamic acid
CID 70452250
4-hydroxy-3-[(4-methylphenyl)methyl]chromen-2-one
CID 76852674
acetic acid;3-benzyl-4-hydroxychromen-2-one;methane
CID 160553428
4-hydroxy-3-sulfanylchromen-2-one
CID 54676635
4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-thiophen-2-ylpropyl]chromen-2-one
CID 121000083

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-prop-2-enylchromen-2-one?
The IUPAC name of 4-hydroxy-3-prop-2-enylchromen-2-one (CID 54710499) is 4-hydroxy-3-prop-2-enylchromen-2-one.
What is the SMILES notation for 4-hydroxy-3-prop-2-enylchromen-2-one?
The canonical SMILES for 4-hydroxy-3-prop-2-enylchromen-2-one is C=CCc1c(O)c2ccccc2oc1=O.
What is the InChIKey of 4-hydroxy-3-prop-2-enylchromen-2-one?
The InChIKey is BCCWACMEIIKOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-2-5-9-11(13)8-6-3-4-7-10(8)15-12(9)14/h2-4,6-7,13H,1,5H2.
What are the key properties of 4-hydroxy-3-prop-2-enylchromen-2-one?
4-hydroxy-3-prop-2-enylchromen-2-one has a molecular weight of 202.21 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-prop-2-enylchromen-2-one is sourced from PubChem (CID 54710499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).