4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-2-one

C19H18O7 — CID 45276755

IUPAC4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-2-one
SMILESCOc1cc2oc(=O)cc(-c3cc(OC)c(O)c(OC)c3)c2cc1OC
InChIInChI=1S/C19H18O7/c1-22-14-7-12-11(8-18(20)26-13(12)9-15(14)23-2)10-5-16(24-3)19(21)17(6-10)25-4/h5-9,21H,1-4H3
InChIKeyGKUCKXFRGHSENJ-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.20
Rot. Bonds5

About 4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-2-one

4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-2-one (PubChem CID 45276755) has the molecular formula C19H18O7 and a molecular weight of 358.35 g/mol. Its IUPAC name is 4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-2-one.

Molecular Properties

Compound Name4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-2-one
PubChem CID45276755
Molecular FormulaC19H18O7
Molecular Weight358.35 g/mol
Exact Mass358.11
IUPAC Name4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-2-one
SMILESCOc1cc2oc(=O)cc(-c3cc(OC)c(O)c(OC)c3)c2cc1OC
InChIInChI=1S/C19H18O7/c1-22-14-7-12-11(8-18(20)26-13(12)9-15(14)23-2)10-5-16(24-3)19(21)17(6-10)25-4/h5-9,21H,1-4H3
InChIKeyGKUCKXFRGHSENJ-UHFFFAOYSA-N
XLogP3.20
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxychromen-2-one
CID 45276754
5,6,7-trimethoxy-4-(3,4,5-trimethoxyphenyl)chromen-2-one
CID 45276907
2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate
CID 25272422
4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one
CID 46879082
4-hydroxy-6-(4-hydroxy-3,5-dimethoxyphenyl)pyran-2-one
CID 54704726
4-(chloromethyl)-6,7-dimethoxychromen-2-one
CID 12070149
6-chloro-4-hydroxy-7-methoxychromen-2-one
CID 57363219
6,7-dimethoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 71436763
4-ethyl-7-hydroxy-6-methoxychromen-2-one
CID 119087961
ethyl 2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate
CID 11358293
(2R)-2-amino-3-(6,7-dimethoxy-2-oxochromen-4-yl)propanoic acid
CID 15337094
3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 10807373

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-2-one?
The IUPAC name of 4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-2-one (CID 45276755) is 4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-2-one.
What is the SMILES notation for 4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-2-one?
The canonical SMILES for 4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-2-one is COc1cc2oc(=O)cc(-c3cc(OC)c(O)c(OC)c3)c2cc1OC.
What is the InChIKey of 4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-2-one?
The InChIKey is GKUCKXFRGHSENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O7/c1-22-14-7-12-11(8-18(20)26-13(12)9-15(14)23-2)10-5-16(24-3)19(21)17(6-10)25-4/h5-9,21H,1-4H3.
What are the key properties of 4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-2-one?
4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-2-one has a molecular weight of 358.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-2-one is sourced from PubChem (CID 45276755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).