6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one

C18H16O5 — CID 15228899

IUPAC6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one
SMILESCOc1cccc(-c2coc3cc(OC)c(OC)cc3c2=O)c1
InChIInChI=1S/C18H16O5/c1-20-12-6-4-5-11(7-12)14-10-23-15-9-17(22-3)16(21-2)8-13(15)18(14)19/h4-10H,1-3H3
InChIKeyPLZXDPRDLGTIGK-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.49
Rot. Bonds4

About 6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one

6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one (PubChem CID 15228899) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one
PubChem CID15228899
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one
SMILESCOc1cccc(-c2coc3cc(OC)c(OC)cc3c2=O)c1
InChIInChI=1S/C18H16O5/c1-20-12-6-4-5-11(7-12)14-10-23-15-9-17(22-3)16(21-2)8-13(15)18(14)19/h4-10H,1-3H3
InChIKeyPLZXDPRDLGTIGK-UHFFFAOYSA-N
XLogP3.49
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
CID 631176
7-methoxy-3-(4-methoxyphenyl)-6-methylchromen-4-one
CID 57363360
3-(3,4-dimethoxyphenyl)-6,7-dihydroxychromen-4-one
CID 21270169
7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one
CID 16743458
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one
CID 102347784
6-bromo-3-(3,5-dibromo-4-hydroxyphenyl)-7-methoxychromen-4-one
CID 46928809
7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one
CID 169433907
3-bromo-6,7-dimethoxychromen-4-one
CID 67762458
6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
CID 15485381
6-ethyl-7-methoxy-3-(4-methylphenyl)chromen-4-one
CID 58480721
6,7-dimethoxy-3-[4-(piperidin-1-ylmethyl)phenyl]chromen-4-one
CID 141111806

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one?
The IUPAC name of 6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one (CID 15228899) is 6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one?
The canonical SMILES for 6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one is COc1cccc(-c2coc3cc(OC)c(OC)cc3c2=O)c1.
What is the InChIKey of 6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one?
The InChIKey is PLZXDPRDLGTIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-20-12-6-4-5-11(7-12)14-10-23-15-9-17(22-3)16(21-2)8-13(15)18(14)19/h4-10H,1-3H3.
What are the key properties of 6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one?
6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one has a molecular weight of 312.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 15228899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).