7-hydroxy-3-(4-hydroxyphenyl)-8-prop-2-enoxychromen-4-one

C18H14O5 — CID 10968910

IUPAC7-hydroxy-3-(4-hydroxyphenyl)-8-prop-2-enoxychromen-4-one
SMILESC=CCOc1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc12
InChIInChI=1S/C18H14O5/c1-2-9-22-18-15(20)8-7-13-16(21)14(10-23-17(13)18)11-3-5-12(19)6-4-11/h2-8,10,19-20H,1,9H2
InChIKeyAKMXWYIRIVNGCU-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.44
Rot. Bonds4

About 7-hydroxy-3-(4-hydroxyphenyl)-8-prop-2-enoxychromen-4-one

7-hydroxy-3-(4-hydroxyphenyl)-8-prop-2-enoxychromen-4-one (PubChem CID 10968910) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is 7-hydroxy-3-(4-hydroxyphenyl)-8-prop-2-enoxychromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-(4-hydroxyphenyl)-8-prop-2-enoxychromen-4-one
PubChem CID10968910
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Name7-hydroxy-3-(4-hydroxyphenyl)-8-prop-2-enoxychromen-4-one
SMILESC=CCOc1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc12
InChIInChI=1S/C18H14O5/c1-2-9-22-18-15(20)8-7-13-16(21)14(10-23-17(13)18)11-3-5-12(19)6-4-11/h2-8,10,19-20H,1,9H2
InChIKeyAKMXWYIRIVNGCU-UHFFFAOYSA-N
XLogP3.44
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-3-(4-hydroxyphenyl)-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 162923949
7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one
CID 10925737
7-hydroxy-8-[(2R,4R,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(4-hydroxyphenyl)chromen-4-one
CID 130323980
8-[(2S,3R,4R,5S,6R)-6-[dideuterio(hydroxy)methyl]-3,4,5-trihydroxyoxan-2-yl]-7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
CID 50992969
methyl (3R)-3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-8-yl]-3-(4-methylphenyl)propanoate
CID 97424024
3-(4-ethenylphenyl)-7-hydroxychromen-4-one
CID 71481413
methyl 4-[1-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-8-yl]-3-methoxy-3-oxopropyl]benzoate
CID 71826380
methyl (3R)-3-(3,4-dimethylphenyl)-3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-8-yl]propanoate
CID 97425392
methyl (3S)-3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-8-yl]-3-(2,3,4-trimethoxyphenyl)propanoate
CID 97424179
3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one
CID 142746801
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
8-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 10224737

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(4-hydroxyphenyl)-8-prop-2-enoxychromen-4-one?
The IUPAC name of 7-hydroxy-3-(4-hydroxyphenyl)-8-prop-2-enoxychromen-4-one (CID 10968910) is 7-hydroxy-3-(4-hydroxyphenyl)-8-prop-2-enoxychromen-4-one.
What is the SMILES notation for 7-hydroxy-3-(4-hydroxyphenyl)-8-prop-2-enoxychromen-4-one?
The canonical SMILES for 7-hydroxy-3-(4-hydroxyphenyl)-8-prop-2-enoxychromen-4-one is C=CCOc1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc12.
What is the InChIKey of 7-hydroxy-3-(4-hydroxyphenyl)-8-prop-2-enoxychromen-4-one?
The InChIKey is AKMXWYIRIVNGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c1-2-9-22-18-15(20)8-7-13-16(21)14(10-23-17(13)18)11-3-5-12(19)6-4-11/h2-8,10,19-20H,1,9H2.
What are the key properties of 7-hydroxy-3-(4-hydroxyphenyl)-8-prop-2-enoxychromen-4-one?
7-hydroxy-3-(4-hydroxyphenyl)-8-prop-2-enoxychromen-4-one has a molecular weight of 310.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(4-hydroxyphenyl)-8-prop-2-enoxychromen-4-one is sourced from PubChem (CID 10968910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).