6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one

C19H18O7 — CID 15485381

IUPAC6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
SMILESCOc1cc2occ(-c3cc(OC)c(OC)cc3OC)c(=O)c2cc1O
InChIInChI=1S/C19H18O7/c1-22-14-7-18(25-4)17(24-3)6-10(14)12-9-26-15-8-16(23-2)13(20)5-11(15)19(12)21/h5-9,20H,1-4H3
InChIKeyLVONUTYSUPRVRZ-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.20
Rot. Bonds5

About 6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one

6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one (PubChem CID 15485381) has the molecular formula C19H18O7 and a molecular weight of 358.35 g/mol. Its IUPAC name is 6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
PubChem CID15485381
Molecular FormulaC19H18O7
Molecular Weight358.35 g/mol
Exact Mass358.11
IUPAC Name6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
SMILESCOc1cc2occ(-c3cc(OC)c(OC)cc3OC)c(=O)c2cc1O
InChIInChI=1S/C19H18O7/c1-22-14-7-18(25-4)17(24-3)6-10(14)12-9-26-15-8-16(23-2)13(20)5-11(15)19(12)21/h5-9,20H,1-4H3
InChIKeyLVONUTYSUPRVRZ-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

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Related Compounds

3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one
CID 102347784
3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
CID 10804003
3-(3,4-dimethoxyphenyl)-6,7-dihydroxychromen-4-one
CID 21270169
5,7-dihydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)chromen-4-one
CID 71459473
7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one
CID 16743458
6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one
CID 42604870
7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one
CID 169433907
3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
CID 631176
7-hydroxy-6-methoxy-4-oxochromene-3-carboxylic acid
CID 13188007
6-bromo-3-(3,5-dibromo-4-hydroxyphenyl)-7-methoxychromen-4-one
CID 46928809
6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one
CID 15228899
3-bromo-6,7-dimethoxychromen-4-one
CID 67762458

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one?
The IUPAC name of 6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one (CID 15485381) is 6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one?
The canonical SMILES for 6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one is COc1cc2occ(-c3cc(OC)c(OC)cc3OC)c(=O)c2cc1O.
What is the InChIKey of 6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one?
The InChIKey is LVONUTYSUPRVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O7/c1-22-14-7-18(25-4)17(24-3)6-10(14)12-9-26-15-8-16(23-2)13(20)5-11(15)19(12)21/h5-9,20H,1-4H3.
What are the key properties of 6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one?
6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-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 6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 15485381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).