5,7-dihydroxy-3-[(2E)-5-methylhexa-2,4-dienyl]-2-phenylchromen-4-one

C22H20O4 — CID 25116115

IUPAC5,7-dihydroxy-3-[(2E)-5-methylhexa-2,4-dienyl]-2-phenylchromen-4-one
SMILESCC(C)=C/C=C/Cc1c(-c2ccccc2)oc2cc(O)cc(O)c2c1=O
InChIInChI=1S/C22H20O4/c1-14(2)8-6-7-11-17-21(25)20-18(24)12-16(23)13-19(20)26-22(17)15-9-4-3-5-10-15/h3-10,12-13,23-24H,11H2,1-2H3/b7-6+
InChIKeyAZPDIROMJOBTJA-VOTSOKGWSA-N
MW348.40 g/mol
LogP4.94
Rot. Bonds4

About 5,7-dihydroxy-3-[(2E)-5-methylhexa-2,4-dienyl]-2-phenylchromen-4-one

5,7-dihydroxy-3-[(2E)-5-methylhexa-2,4-dienyl]-2-phenylchromen-4-one (PubChem CID 25116115) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5,7-dihydroxy-3-[(2E)-5-methylhexa-2,4-dienyl]-2-phenylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-3-[(2E)-5-methylhexa-2,4-dienyl]-2-phenylchromen-4-one
PubChem CID25116115
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name5,7-dihydroxy-3-[(2E)-5-methylhexa-2,4-dienyl]-2-phenylchromen-4-one
SMILESCC(C)=C/C=C/Cc1c(-c2ccccc2)oc2cc(O)cc(O)c2c1=O
InChIInChI=1S/C22H20O4/c1-14(2)8-6-7-11-17-21(25)20-18(24)12-16(23)13-19(20)26-22(17)15-9-4-3-5-10-15/h3-10,12-13,23-24H,11H2,1-2H3/b7-6+
InChIKeyAZPDIROMJOBTJA-VOTSOKGWSA-N
XLogP4.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-hydroxy-3-[(2E)-5-methylhexa-2,4-dienyl]-4-oxo-2-phenylchromen-7-yl] methanesulfonate
CID 25116116
2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-[(2E)-5-methylhexa-2,4-dienyl]chromen-4-one
CID 25116816
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one
CID 91374192
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-3-(3-methylbut-2-enyl)chromen-4-one
CID 162859073
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(2,2,2-trihydroxyethyl)chromen-4-one
CID 22138200
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 15661821
2-[3-(3,7-dimethylocta-2,6-dienyl)-2,4-dihydroxyphenyl]-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one
CID 91394077
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
5,7-dihydroxy-2-phenyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 74977986
5,7-dihydroxy-2-phenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 5488496
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-[(2E)-5-methylhexa-2,4-dienyl]-2-phenylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-3-[(2E)-5-methylhexa-2,4-dienyl]-2-phenylchromen-4-one (CID 25116115) is 5,7-dihydroxy-3-[(2E)-5-methylhexa-2,4-dienyl]-2-phenylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-3-[(2E)-5-methylhexa-2,4-dienyl]-2-phenylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-3-[(2E)-5-methylhexa-2,4-dienyl]-2-phenylchromen-4-one is CC(C)=C/C=C/Cc1c(-c2ccccc2)oc2cc(O)cc(O)c2c1=O.
What is the InChIKey of 5,7-dihydroxy-3-[(2E)-5-methylhexa-2,4-dienyl]-2-phenylchromen-4-one?
The InChIKey is AZPDIROMJOBTJA-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H20O4/c1-14(2)8-6-7-11-17-21(25)20-18(24)12-16(23)13-19(20)26-22(17)15-9-4-3-5-10-15/h3-10,12-13,23-24H,11H2,1-2H3/b7-6+.
What are the key properties of 5,7-dihydroxy-3-[(2E)-5-methylhexa-2,4-dienyl]-2-phenylchromen-4-one?
5,7-dihydroxy-3-[(2E)-5-methylhexa-2,4-dienyl]-2-phenylchromen-4-one has a molecular weight of 348.40 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-[(2E)-5-methylhexa-2,4-dienyl]-2-phenylchromen-4-one is sourced from PubChem (CID 25116115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).