(2S)-2-ethenyl-5,7-dihydroxy-2,3-dihydrochromen-4-one

C11H10O4 — CID 169174293

IUPAC(2S)-2-ethenyl-5,7-dihydroxy-2,3-dihydrochromen-4-one
SMILESC=C[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
InChIInChI=1S/C11H10O4/c1-2-7-5-9(14)11-8(13)3-6(12)4-10(11)15-7/h2-4,7,12-13H,1,5H2/t7-/m1/s1
InChIKeyQHYVCDICJBSLCV-SSDOTTSWSA-N
MW206.20 g/mol
LogP1.62
Rot. Bonds1

About (2S)-2-ethenyl-5,7-dihydroxy-2,3-dihydrochromen-4-one

(2S)-2-ethenyl-5,7-dihydroxy-2,3-dihydrochromen-4-one (PubChem CID 169174293) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is (2S)-2-ethenyl-5,7-dihydroxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2S)-2-ethenyl-5,7-dihydroxy-2,3-dihydrochromen-4-one
PubChem CID169174293
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name(2S)-2-ethenyl-5,7-dihydroxy-2,3-dihydrochromen-4-one
SMILESC=C[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
InChIInChI=1S/C11H10O4/c1-2-7-5-9(14)11-8(13)3-6(12)4-10(11)15-7/h2-4,7,12-13H,1,5H2/t7-/m1/s1
InChIKeyQHYVCDICJBSLCV-SSDOTTSWSA-N
XLogP1.62
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.62
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-(3,5-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 11483087
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine
CID 174718034
(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 10356745
4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)cyclohexa-3,5-diene-1,2-dione
CID 101388790
5,7-dihydroxy-2-methyl-2,3-dihydrochromen-4-one;phenol
CID 162376835
2-(3,5-dichloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 169195842
(2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane
CID 143810700
5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxybenzaldehyde
CID 102127187
(2R)-5,7-dihydroxy-2-(4-hydroxycyclohexa-1,3-dien-1-yl)-2,3-dihydrochromen-4-one
CID 163048664
(2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163062623
2-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 169195853

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethenyl-5,7-dihydroxy-2,3-dihydrochromen-4-one?
The IUPAC name of (2S)-2-ethenyl-5,7-dihydroxy-2,3-dihydrochromen-4-one (CID 169174293) is (2S)-2-ethenyl-5,7-dihydroxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2S)-2-ethenyl-5,7-dihydroxy-2,3-dihydrochromen-4-one?
The canonical SMILES for (2S)-2-ethenyl-5,7-dihydroxy-2,3-dihydrochromen-4-one is C=C[C@@H]1CC(=O)c2c(O)cc(O)cc2O1.
What is the InChIKey of (2S)-2-ethenyl-5,7-dihydroxy-2,3-dihydrochromen-4-one?
The InChIKey is QHYVCDICJBSLCV-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10O4/c1-2-7-5-9(14)11-8(13)3-6(12)4-10(11)15-7/h2-4,7,12-13H,1,5H2/t7-/m1/s1.
What are the key properties of (2S)-2-ethenyl-5,7-dihydroxy-2,3-dihydrochromen-4-one?
(2S)-2-ethenyl-5,7-dihydroxy-2,3-dihydrochromen-4-one has a molecular weight of 206.20 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethenyl-5,7-dihydroxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 169174293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).