2-(7-methoxy-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione

C16H10O5 — CID 10493126

IUPAC2-(7-methoxy-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione
SMILESCOc1ccc2c(=O)c(C3=CC(=O)C=CC3=O)coc2c1
InChIInChI=1S/C16H10O5/c1-20-10-3-4-11-15(7-10)21-8-13(16(11)19)12-6-9(17)2-5-14(12)18/h2-8H,1H3
InChIKeyYTPDSIQGASDWFX-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.89
Rot. Bonds2

About 2-(7-methoxy-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione

2-(7-methoxy-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione (PubChem CID 10493126) has the molecular formula C16H10O5 and a molecular weight of 282.25 g/mol. Its IUPAC name is 2-(7-methoxy-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-(7-methoxy-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione
PubChem CID10493126
Molecular FormulaC16H10O5
Molecular Weight282.25 g/mol
Exact Mass282.05
IUPAC Name2-(7-methoxy-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione
SMILESCOc1ccc2c(=O)c(C3=CC(=O)C=CC3=O)coc2c1
InChIInChI=1S/C16H10O5/c1-20-10-3-4-11-15(7-10)21-8-13(16(11)19)12-6-9(17)2-5-14(12)18/h2-8H,1H3
InChIKeyYTPDSIQGASDWFX-UHFFFAOYSA-N
XLogP1.89
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
2-(6-bromo-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione
CID 102452625
3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one
CID 102347784
3-acetyl-7-(4-methoxyphenoxy)chromen-4-one
CID 139885668
3-(4-methoxyphenyl)-7-(oxiran-2-ylmethoxy)chromen-4-one
CID 86618198
3-(4-chlorophenyl)-6-methoxy-1-benzofuran
CID 69171668
3-(4-chlorophenyl)sulfanyl-7-methoxychromen-4-one
CID 154715181
7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
CID 719937
N-(7-methoxy-4-oxochromen-3-yl)-2-oxoacetamide
CID 88798490
(E)-3-(7-methoxy-4-oxochromen-3-yl)prop-2-enenitrile
CID 71657405
[4-(7-methoxy-4-oxochromen-3-yl)phenyl] octadecanoate
CID 46887096
2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetate
CID 4672101

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-(7-methoxy-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione (CID 10493126) is 2-(7-methoxy-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-(7-methoxy-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-(7-methoxy-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione is COc1ccc2c(=O)c(C3=CC(=O)C=CC3=O)coc2c1.
What is the InChIKey of 2-(7-methoxy-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is YTPDSIQGASDWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O5/c1-20-10-3-4-11-15(7-10)21-8-13(16(11)19)12-6-9(17)2-5-14(12)18/h2-8H,1H3.
What are the key properties of 2-(7-methoxy-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione?
2-(7-methoxy-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 282.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 10493126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).