5,7-dihydroxy-2-(2-hydroxyphenyl)-6-prop-2-enyl-2,3-dihydrochromen-4-one

C18H16O5 — CID 142550305

IUPAC5,7-dihydroxy-2-(2-hydroxyphenyl)-6-prop-2-enyl-2,3-dihydrochromen-4-one
SMILESC=CCc1c(O)cc2c(c1O)C(=O)CC(c1ccccc1O)O2
InChIInChI=1S/C18H16O5/c1-2-5-11-13(20)8-16-17(18(11)22)14(21)9-15(23-16)10-6-3-4-7-12(10)19/h2-4,6-8,15,19-20,22H,1,5,9H2
InChIKeySJKLWPHIZIXCSY-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.24
Rot. Bonds3

About 5,7-dihydroxy-2-(2-hydroxyphenyl)-6-prop-2-enyl-2,3-dihydrochromen-4-one

5,7-dihydroxy-2-(2-hydroxyphenyl)-6-prop-2-enyl-2,3-dihydrochromen-4-one (PubChem CID 142550305) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(2-hydroxyphenyl)-6-prop-2-enyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-(2-hydroxyphenyl)-6-prop-2-enyl-2,3-dihydrochromen-4-one
PubChem CID142550305
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name5,7-dihydroxy-2-(2-hydroxyphenyl)-6-prop-2-enyl-2,3-dihydrochromen-4-one
SMILESC=CCc1c(O)cc2c(c1O)C(=O)CC(c1ccccc1O)O2
InChIInChI=1S/C18H16O5/c1-2-5-11-13(20)8-16-17(18(11)22)14(21)9-15(23-16)10-6-3-4-7-12(10)19/h2-4,6-8,15,19-20,22H,1,5,9H2
InChIKeySJKLWPHIZIXCSY-UHFFFAOYSA-N
XLogP3.24
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5,6-dihydroxy-2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 102167618
(2R)-6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 38360850
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one
CID 162858034
2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-3-methylphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 70801801
[4-[(2S)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-2-yl]-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxyphenyl]oxidanium
CID 163982084
(2R)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 38351424
6-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 54494857
(2R)-7-hydroxy-2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 57484831
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbutyl)-2,3-dihydrochromen-4-one
CID 142550277
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dihydrochromen-4-one
CID 15341467
6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(3-hydroxy-4-methylphenyl)-2,3-dihydrochromen-4-one
CID 122527107
(2S)-2-[3,4-dihydroxy-2-(7-hydroxy-3,7-dimethyloct-2-enyl)phenyl]-5,7-dihydroxy-6-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one
CID 123289152

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(2-hydroxyphenyl)-6-prop-2-enyl-2,3-dihydrochromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-(2-hydroxyphenyl)-6-prop-2-enyl-2,3-dihydrochromen-4-one (CID 142550305) is 5,7-dihydroxy-2-(2-hydroxyphenyl)-6-prop-2-enyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-(2-hydroxyphenyl)-6-prop-2-enyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-(2-hydroxyphenyl)-6-prop-2-enyl-2,3-dihydrochromen-4-one is C=CCc1c(O)cc2c(c1O)C(=O)CC(c1ccccc1O)O2.
What is the InChIKey of 5,7-dihydroxy-2-(2-hydroxyphenyl)-6-prop-2-enyl-2,3-dihydrochromen-4-one?
The InChIKey is SJKLWPHIZIXCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-2-5-11-13(20)8-16-17(18(11)22)14(21)9-15(23-16)10-6-3-4-7-12(10)19/h2-4,6-8,15,19-20,22H,1,5,9H2.
What are the key properties of 5,7-dihydroxy-2-(2-hydroxyphenyl)-6-prop-2-enyl-2,3-dihydrochromen-4-one?
5,7-dihydroxy-2-(2-hydroxyphenyl)-6-prop-2-enyl-2,3-dihydrochromen-4-one has a molecular weight of 312.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-(2-hydroxyphenyl)-6-prop-2-enyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 142550305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).