methyl 7-formyl-4-methoxydibenzofuran-1-carboxylate

C16H12O5 — CID 132822055

IUPACmethyl 7-formyl-4-methoxydibenzofuran-1-carboxylate
SMILESCOC(=O)c1ccc(OC)c2oc3cc(C=O)ccc3c12
InChIInChI=1S/C16H12O5/c1-19-12-6-5-11(16(18)20-2)14-10-4-3-9(8-17)7-13(10)21-15(12)14/h3-8H,1-2H3
InChIKeyBBQPJEIUAPORJU-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.19
Rot. Bonds3

About methyl 7-formyl-4-methoxydibenzofuran-1-carboxylate

methyl 7-formyl-4-methoxydibenzofuran-1-carboxylate (PubChem CID 132822055) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is methyl 7-formyl-4-methoxydibenzofuran-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-formyl-4-methoxydibenzofuran-1-carboxylate
PubChem CID132822055
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Namemethyl 7-formyl-4-methoxydibenzofuran-1-carboxylate
SMILESCOC(=O)c1ccc(OC)c2oc3cc(C=O)ccc3c12
InChIInChI=1S/C16H12O5/c1-19-12-6-5-11(16(18)20-2)14-10-4-3-9(8-17)7-13(10)21-15(12)14/h3-8H,1-2H3
InChIKeyBBQPJEIUAPORJU-UHFFFAOYSA-N
XLogP3.19
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[hydroxy(phenyl)methyl]-7-methoxy-1-benzofuran-4-carboxylate
CID 90942323
3-(7-methoxy-4-methoxycarbonyl-1-benzofuran-2-yl)prop-2-enoic acid
CID 66592576
4-formyl-2-methoxycarbonylbenzoate
CID 170985787
methyl 2-(2,5-dimethylpyrrol-1-yl)-4-formylbenzoate
CID 90154930
4-acetyl-3-methoxybenzaldehyde
CID 14123550
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
methyl 4-(2-chloro-4-formylphenoxy)-3,5-dimethoxybenzoate
CID 167057664
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
methyl 2,3-dihydroxy-4-methoxybenzoate
CID 11694090
methyl 6-acetyloxy-4-methylnaphtho[2,1-b][1]benzofuran-3-carboxylate
CID 67605191
N-(5-formyl-2-methoxyphenyl)formamide
CID 168654093
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378

Frequently Asked Questions

What is the IUPAC name of methyl 7-formyl-4-methoxydibenzofuran-1-carboxylate?
The IUPAC name of methyl 7-formyl-4-methoxydibenzofuran-1-carboxylate (CID 132822055) is methyl 7-formyl-4-methoxydibenzofuran-1-carboxylate.
What is the SMILES notation for methyl 7-formyl-4-methoxydibenzofuran-1-carboxylate?
The canonical SMILES for methyl 7-formyl-4-methoxydibenzofuran-1-carboxylate is COC(=O)c1ccc(OC)c2oc3cc(C=O)ccc3c12.
What is the InChIKey of methyl 7-formyl-4-methoxydibenzofuran-1-carboxylate?
The InChIKey is BBQPJEIUAPORJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-19-12-6-5-11(16(18)20-2)14-10-4-3-9(8-17)7-13(10)21-15(12)14/h3-8H,1-2H3.
What are the key properties of methyl 7-formyl-4-methoxydibenzofuran-1-carboxylate?
methyl 7-formyl-4-methoxydibenzofuran-1-carboxylate has a molecular weight of 284.27 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-formyl-4-methoxydibenzofuran-1-carboxylate is sourced from PubChem (CID 132822055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).