7-(7-methoxy-2-oxochromen-3-yl)-4-methylchromen-2-one

C20H14O5 — CID 57040654

IUPAC7-(7-methoxy-2-oxochromen-3-yl)-4-methylchromen-2-one
SMILESCOc1ccc2cc(-c3ccc4c(C)cc(=O)oc4c3)c(=O)oc2c1
InChIInChI=1S/C20H14O5/c1-11-7-19(21)24-18-9-12(4-6-15(11)18)16-8-13-3-5-14(23-2)10-17(13)25-20(16)22/h3-10H,1-2H3
InChIKeySRIVKDUXZZDYCP-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.88
Rot. Bonds2

About 7-(7-methoxy-2-oxochromen-3-yl)-4-methylchromen-2-one

7-(7-methoxy-2-oxochromen-3-yl)-4-methylchromen-2-one (PubChem CID 57040654) has the molecular formula C20H14O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 7-(7-methoxy-2-oxochromen-3-yl)-4-methylchromen-2-one.

Molecular Properties

Compound Name7-(7-methoxy-2-oxochromen-3-yl)-4-methylchromen-2-one
PubChem CID57040654
Molecular FormulaC20H14O5
Molecular Weight334.33 g/mol
Exact Mass334.08
IUPAC Name7-(7-methoxy-2-oxochromen-3-yl)-4-methylchromen-2-one
SMILESCOc1ccc2cc(-c3ccc4c(C)cc(=O)oc4c3)c(=O)oc2c1
InChIInChI=1S/C20H14O5/c1-11-7-19(21)24-18-9-12(4-6-15(11)18)16-8-13-3-5-14(23-2)10-17(13)25-20(16)22/h3-10H,1-2H3
InChIKeySRIVKDUXZZDYCP-UHFFFAOYSA-N
XLogP3.88
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-3-(4-methylphenyl)chromen-2-one
CID 73211962
7-methoxy-3-(3-methylphenyl)chromen-2-one
CID 87584032
3-(4-bromophenyl)-7-methoxychromen-2-one
CID 688900
7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one
CID 155816497
3-[3-chloro-4-(4,5-dimethyltriazol-2-yl)phenyl]-7-methoxychromen-2-one
CID 21395783
3-(4-methoxyphenyl)-2-oxochromene-7-carbonitrile
CID 124928122
4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one
CID 46879082
7-methoxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one
CID 22423891
3-(4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one
CID 707742
7-[(2,6-difluorophenyl)methoxy]-3-(7-methoxy-2-oxochromen-4-yl)chromen-2-one
CID 4967566
3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one
CID 156776464
4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430

Frequently Asked Questions

What is the IUPAC name of 7-(7-methoxy-2-oxochromen-3-yl)-4-methylchromen-2-one?
The IUPAC name of 7-(7-methoxy-2-oxochromen-3-yl)-4-methylchromen-2-one (CID 57040654) is 7-(7-methoxy-2-oxochromen-3-yl)-4-methylchromen-2-one.
What is the SMILES notation for 7-(7-methoxy-2-oxochromen-3-yl)-4-methylchromen-2-one?
The canonical SMILES for 7-(7-methoxy-2-oxochromen-3-yl)-4-methylchromen-2-one is COc1ccc2cc(-c3ccc4c(C)cc(=O)oc4c3)c(=O)oc2c1.
What is the InChIKey of 7-(7-methoxy-2-oxochromen-3-yl)-4-methylchromen-2-one?
The InChIKey is SRIVKDUXZZDYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O5/c1-11-7-19(21)24-18-9-12(4-6-15(11)18)16-8-13-3-5-14(23-2)10-17(13)25-20(16)22/h3-10H,1-2H3.
What are the key properties of 7-(7-methoxy-2-oxochromen-3-yl)-4-methylchromen-2-one?
7-(7-methoxy-2-oxochromen-3-yl)-4-methylchromen-2-one has a molecular weight of 334.33 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-methoxy-2-oxochromen-3-yl)-4-methylchromen-2-one is sourced from PubChem (CID 57040654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).