methyl 3,4,8-trimethoxy-6-oxobenzo[c]chromene-2-carboxylate

C18H16O7 — CID 631298

IUPACmethyl 3,4,8-trimethoxy-6-oxobenzo[c]chromene-2-carboxylate
SMILESCOC(=O)c1cc2c(oc(=O)c3cc(OC)ccc32)c(OC)c1OC
InChIInChI=1S/C18H16O7/c1-21-9-5-6-10-11-8-13(17(19)24-4)14(22-2)16(23-3)15(11)25-18(20)12(10)7-9/h5-8H,1-4H3
InChIKeyRYBQWBNIPIBXSC-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.76
Rot. Bonds4

About methyl 3,4,8-trimethoxy-6-oxobenzo[c]chromene-2-carboxylate

methyl 3,4,8-trimethoxy-6-oxobenzo[c]chromene-2-carboxylate (PubChem CID 631298) has the molecular formula C18H16O7 and a molecular weight of 344.32 g/mol. Its IUPAC name is methyl 3,4,8-trimethoxy-6-oxobenzo[c]chromene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,4,8-trimethoxy-6-oxobenzo[c]chromene-2-carboxylate
PubChem CID631298
Molecular FormulaC18H16O7
Molecular Weight344.32 g/mol
Exact Mass344.09
IUPAC Namemethyl 3,4,8-trimethoxy-6-oxobenzo[c]chromene-2-carboxylate
SMILESCOC(=O)c1cc2c(oc(=O)c3cc(OC)ccc32)c(OC)c1OC
InChIInChI=1S/C18H16O7/c1-21-9-5-6-10-11-8-13(17(19)24-4)14(22-2)16(23-3)15(11)25-18(20)12(10)7-9/h5-8H,1-4H3
InChIKeyRYBQWBNIPIBXSC-UHFFFAOYSA-N
XLogP2.76
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxypropanoic acid
CID 704611
methyl 5-methoxy-1-benzoselenophene-3-carboxylate
CID 15503768
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
3-chloro-8-methoxybenzo[c]chromen-6-one
CID 164598037
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxypropanoic acid
CID 2906441
methyl 2,7-dimethoxy-9-methylcarbazole-3-carboxylate
CID 101049424
1,2,4-trihydroxy-9-methoxybenzo[c]chromen-6-one
CID 171936005
4-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one
CID 171936003
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide
CID 175862262
methyl 7-methoxy-4-oxochromene-2-carboxylate
CID 739444
(2S)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetic acid
CID 1188203
8-methoxy-4-methyl-3-phenacyloxybenzo[c]chromen-6-one
CID 2185542

Frequently Asked Questions

What is the IUPAC name of methyl 3,4,8-trimethoxy-6-oxobenzo[c]chromene-2-carboxylate?
The IUPAC name of methyl 3,4,8-trimethoxy-6-oxobenzo[c]chromene-2-carboxylate (CID 631298) is methyl 3,4,8-trimethoxy-6-oxobenzo[c]chromene-2-carboxylate.
What is the SMILES notation for methyl 3,4,8-trimethoxy-6-oxobenzo[c]chromene-2-carboxylate?
The canonical SMILES for methyl 3,4,8-trimethoxy-6-oxobenzo[c]chromene-2-carboxylate is COC(=O)c1cc2c(oc(=O)c3cc(OC)ccc32)c(OC)c1OC.
What is the InChIKey of methyl 3,4,8-trimethoxy-6-oxobenzo[c]chromene-2-carboxylate?
The InChIKey is RYBQWBNIPIBXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O7/c1-21-9-5-6-10-11-8-13(17(19)24-4)14(22-2)16(23-3)15(11)25-18(20)12(10)7-9/h5-8H,1-4H3.
What are the key properties of methyl 3,4,8-trimethoxy-6-oxobenzo[c]chromene-2-carboxylate?
methyl 3,4,8-trimethoxy-6-oxobenzo[c]chromene-2-carboxylate has a molecular weight of 344.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4,8-trimethoxy-6-oxobenzo[c]chromene-2-carboxylate is sourced from PubChem (CID 631298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).