2-[(1E,3Z,5Z)-3,4-dimethoxyhepta-1,3,5-trienyl]-5-hydroxy-6,7-dimethoxychromen-4-one

C20H22O7 — CID 144525991

IUPAC2-[(1E,3Z,5Z)-3,4-dimethoxyhepta-1,3,5-trienyl]-5-hydroxy-6,7-dimethoxychromen-4-one
SMILESC/C=C\C(OC)=C(/C=C/c1cc(=O)c2c(O)c(OC)c(OC)cc2o1)OC
InChIInChI=1S/C20H22O7/c1-6-7-14(23-2)15(24-3)9-8-12-10-13(21)18-16(27-12)11-17(25-4)20(26-5)19(18)22/h6-11,22H,1-5H3/b7-6-,9-8+,15-14-
InChIKeyRGRYABYZVIYZFC-DFFNJDSASA-N
MW374.39 g/mol
LogP3.61
Rot. Bonds7

About 2-[(1E,3Z,5Z)-3,4-dimethoxyhepta-1,3,5-trienyl]-5-hydroxy-6,7-dimethoxychromen-4-one

2-[(1E,3Z,5Z)-3,4-dimethoxyhepta-1,3,5-trienyl]-5-hydroxy-6,7-dimethoxychromen-4-one (PubChem CID 144525991) has the molecular formula C20H22O7 and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-[(1E,3Z,5Z)-3,4-dimethoxyhepta-1,3,5-trienyl]-5-hydroxy-6,7-dimethoxychromen-4-one.

Molecular Properties

Compound Name2-[(1E,3Z,5Z)-3,4-dimethoxyhepta-1,3,5-trienyl]-5-hydroxy-6,7-dimethoxychromen-4-one
PubChem CID144525991
Molecular FormulaC20H22O7
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name2-[(1E,3Z,5Z)-3,4-dimethoxyhepta-1,3,5-trienyl]-5-hydroxy-6,7-dimethoxychromen-4-one
SMILESC/C=C\C(OC)=C(/C=C/c1cc(=O)c2c(O)c(OC)c(OC)cc2o1)OC
InChIInChI=1S/C20H22O7/c1-6-7-14(23-2)15(24-3)9-8-12-10-13(21)18-16(27-12)11-17(25-4)20(26-5)19(18)22/h6-11,22H,1-5H3/b7-6-,9-8+,15-14-
InChIKeyRGRYABYZVIYZFC-DFFNJDSASA-N
XLogP3.61
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5,7-dimethoxy-4-oxo-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]chromene-6-carboxylic acid
CID 57101478
2-(3,5-dihydroxy-2-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 71665818
2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 57405805
5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057
5,6-dihydroxy-7-methoxy-2-methylchromen-4-one
CID 52918156
5-hydroxy-2-methyl-6,7-bis(prop-2-enoxy)chromen-4-one
CID 53321196
6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
CID 11209160
3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
CID 5317287
methyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate
CID 141463684
2,3,6-trimethoxy-5-prop-1-enylphenol
CID 85344788
5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one
CID 74927743
(E)-4-(6-ethyl-7-methoxy-4-oxochromen-2-yl)but-3-enoic acid
CID 170614114

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3Z,5Z)-3,4-dimethoxyhepta-1,3,5-trienyl]-5-hydroxy-6,7-dimethoxychromen-4-one?
The IUPAC name of 2-[(1E,3Z,5Z)-3,4-dimethoxyhepta-1,3,5-trienyl]-5-hydroxy-6,7-dimethoxychromen-4-one (CID 144525991) is 2-[(1E,3Z,5Z)-3,4-dimethoxyhepta-1,3,5-trienyl]-5-hydroxy-6,7-dimethoxychromen-4-one.
What is the SMILES notation for 2-[(1E,3Z,5Z)-3,4-dimethoxyhepta-1,3,5-trienyl]-5-hydroxy-6,7-dimethoxychromen-4-one?
The canonical SMILES for 2-[(1E,3Z,5Z)-3,4-dimethoxyhepta-1,3,5-trienyl]-5-hydroxy-6,7-dimethoxychromen-4-one is C/C=C\C(OC)=C(/C=C/c1cc(=O)c2c(O)c(OC)c(OC)cc2o1)OC.
What is the InChIKey of 2-[(1E,3Z,5Z)-3,4-dimethoxyhepta-1,3,5-trienyl]-5-hydroxy-6,7-dimethoxychromen-4-one?
The InChIKey is RGRYABYZVIYZFC-DFFNJDSASA-N. The full InChI is InChI=1S/C20H22O7/c1-6-7-14(23-2)15(24-3)9-8-12-10-13(21)18-16(27-12)11-17(25-4)20(26-5)19(18)22/h6-11,22H,1-5H3/b7-6-,9-8+,15-14-.
What are the key properties of 2-[(1E,3Z,5Z)-3,4-dimethoxyhepta-1,3,5-trienyl]-5-hydroxy-6,7-dimethoxychromen-4-one?
2-[(1E,3Z,5Z)-3,4-dimethoxyhepta-1,3,5-trienyl]-5-hydroxy-6,7-dimethoxychromen-4-one has a molecular weight of 374.39 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3Z,5Z)-3,4-dimethoxyhepta-1,3,5-trienyl]-5-hydroxy-6,7-dimethoxychromen-4-one is sourced from PubChem (CID 144525991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).