7-hydroxy-2-(2-hydroxyphenyl)-3-prop-2-enylchromen-4-one

C18H14O4 — CID 135027989

IUPAC7-hydroxy-2-(2-hydroxyphenyl)-3-prop-2-enylchromen-4-one
SMILESC=CCc1c(-c2ccccc2O)oc2cc(O)ccc2c1=O
InChIInChI=1S/C18H14O4/c1-2-5-14-17(21)13-9-8-11(19)10-16(13)22-18(14)12-6-3-4-7-15(12)20/h2-4,6-10,19-20H,1,5H2
InChIKeyVVMWDXKKBFCJCL-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.60
Rot. Bonds3

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

7-hydroxy-2-(2-hydroxyphenyl)-3-prop-2-enylchromen-4-one (PubChem CID 135027989) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 7-hydroxy-2-(2-hydroxyphenyl)-3-prop-2-enylchromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-(2-hydroxyphenyl)-3-prop-2-enylchromen-4-one
PubChem CID135027989
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name7-hydroxy-2-(2-hydroxyphenyl)-3-prop-2-enylchromen-4-one
SMILESC=CCc1c(-c2ccccc2O)oc2cc(O)ccc2c1=O
InChIInChI=1S/C18H14O4/c1-2-5-14-17(21)13-9-8-11(19)10-16(13)22-18(14)12-6-3-4-7-15(12)20/h2-4,6-10,19-20H,1,5H2
InChIKeyVVMWDXKKBFCJCL-UHFFFAOYSA-N
XLogP3.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.60
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-(2,4-dihydroxyphenyl)-3-(3,7-dimethylocta-2,6-dienyl)-7-hydroxychromen-4-one
CID 71438276
2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one
CID 153409103
6-ethenyl-10-hydroxy-6H-chromeno[4,3-b]chromen-7-one
CID 135027990
3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one
CID 141051987
2-(3,5-difluorophenyl)-3-prop-2-enylchromen-4-one
CID 54442447
3-benzyl-7-hydroxy-2-methylchromen-4-one
CID 86159483
3-ethyl-2-(2-ethylphenyl)-6-hydroxychromen-4-one
CID 175502832
7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylchromen-4-one
CID 123677692
7-hydroxy-2-methoxy-3-(2-methoxyphenyl)chromen-4-one
CID 20514160
(3E)-3-benzylidene-6-hydroxy-1,2-dihydrocyclopenta[b]chromen-9-one
CID 13375265
3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane
CID 157253645
1,3,6-trihydroxy-2-(3-methylbut-2-enyl)xanthen-9-one
CID 26250237

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(2-hydroxyphenyl)-3-prop-2-enylchromen-4-one?
The IUPAC name of 7-hydroxy-2-(2-hydroxyphenyl)-3-prop-2-enylchromen-4-one (CID 135027989) is 7-hydroxy-2-(2-hydroxyphenyl)-3-prop-2-enylchromen-4-one.
What is the SMILES notation for 7-hydroxy-2-(2-hydroxyphenyl)-3-prop-2-enylchromen-4-one?
The canonical SMILES for 7-hydroxy-2-(2-hydroxyphenyl)-3-prop-2-enylchromen-4-one is C=CCc1c(-c2ccccc2O)oc2cc(O)ccc2c1=O.
What is the InChIKey of 7-hydroxy-2-(2-hydroxyphenyl)-3-prop-2-enylchromen-4-one?
The InChIKey is VVMWDXKKBFCJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-2-5-14-17(21)13-9-8-11(19)10-16(13)22-18(14)12-6-3-4-7-15(12)20/h2-4,6-10,19-20H,1,5H2.
What are the key properties of 7-hydroxy-2-(2-hydroxyphenyl)-3-prop-2-enylchromen-4-one?
7-hydroxy-2-(2-hydroxyphenyl)-3-prop-2-enylchromen-4-one has a molecular weight of 294.31 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(2-hydroxyphenyl)-3-prop-2-enylchromen-4-one is sourced from PubChem (CID 135027989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).