2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one

C18H16O6 — CID 123956955

IUPAC2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one
SMILESCOc1cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2cc1OC
InChIInChI=1S/C18H16O6/c1-21-14-8-12-13(9-15(14)22-2)24-17(18(23-3)16(12)20)10-4-6-11(19)7-5-10/h4-9,19H,1-3H3
InChIKeyOQGITFAJOQRAMM-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.19
Rot. Bonds4

About 2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one

2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one (PubChem CID 123956955) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one
PubChem CID123956955
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Name2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one
SMILESCOc1cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2cc1OC
InChIInChI=1S/C18H16O6/c1-21-14-8-12-13(9-15(14)22-2)24-17(18(23-3)16(12)20)10-4-6-11(19)7-5-10/h4-9,19H,1-3H3
InChIKeyOQGITFAJOQRAMM-UHFFFAOYSA-N
XLogP3.19
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 5280862
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 14269668
2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-3,7-dimethoxychromen-4-one
CID 14376225
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;methoxymethane
CID 68984342
3-iodo-6,7-dimethoxy-2-phenylchromen-4-one
CID 11718442
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one
CID 5380905
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651
2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one
CID 58427526
6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one
CID 7747630
3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 6250403
3-hydroxy-6-iodo-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
CID 171355593

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one?
The IUPAC name of 2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one (CID 123956955) is 2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one is COc1cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2cc1OC.
What is the InChIKey of 2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one?
The InChIKey is OQGITFAJOQRAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6/c1-21-14-8-12-13(9-15(14)22-2)24-17(18(23-3)16(12)20)10-4-6-11(19)7-5-10/h4-9,19H,1-3H3.
What are the key properties of 2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one?
2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one has a molecular weight of 328.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one is sourced from PubChem (CID 123956955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).