methyl 5-(3-methoxycarbonylphenoxy)furan-2-carboxylate

C14H12O6 — CID 12756460

IUPACmethyl 5-(3-methoxycarbonylphenoxy)furan-2-carboxylate
SMILESCOC(=O)c1cccc(Oc2ccc(C(=O)OC)o2)c1
InChIInChI=1S/C14H12O6/c1-17-13(15)9-4-3-5-10(8-9)19-12-7-6-11(20-12)14(16)18-2/h3-8H,1-2H3
InChIKeyADHVLYNAMIBLKI-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.65
Rot. Bonds4

About methyl 5-(3-methoxycarbonylphenoxy)furan-2-carboxylate

methyl 5-(3-methoxycarbonylphenoxy)furan-2-carboxylate (PubChem CID 12756460) has the molecular formula C14H12O6 and a molecular weight of 276.24 g/mol. Its IUPAC name is methyl 5-(3-methoxycarbonylphenoxy)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-methoxycarbonylphenoxy)furan-2-carboxylate
PubChem CID12756460
Molecular FormulaC14H12O6
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Namemethyl 5-(3-methoxycarbonylphenoxy)furan-2-carboxylate
SMILESCOC(=O)c1cccc(Oc2ccc(C(=O)OC)o2)c1
InChIInChI=1S/C14H12O6/c1-17-13(15)9-4-3-5-10(8-9)19-12-7-6-11(20-12)14(16)18-2/h3-8H,1-2H3
InChIKeyADHVLYNAMIBLKI-UHFFFAOYSA-N
XLogP2.65
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate
CID 19874529
methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2110550
CID 59716384
CID 59716384
2-methylideneoxirane;methyl 3-methoxybenzoate
CID 174957498
methyl 3-(3-cyanophenoxy)benzoate
CID 139818102
methyl 3-acetyloxybenzoate
CID 577969
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 3-carbamoyloxybenzoate
CID 795113
methyl 3-ethoxybenzoate
CID 3267781
methyl 5-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]furan-2-carboxylate
CID 51103380
methyl 3-(4-ethynylphenoxy)benzoate
CID 154815146

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-methoxycarbonylphenoxy)furan-2-carboxylate?
The IUPAC name of methyl 5-(3-methoxycarbonylphenoxy)furan-2-carboxylate (CID 12756460) is methyl 5-(3-methoxycarbonylphenoxy)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(3-methoxycarbonylphenoxy)furan-2-carboxylate?
The canonical SMILES for methyl 5-(3-methoxycarbonylphenoxy)furan-2-carboxylate is COC(=O)c1cccc(Oc2ccc(C(=O)OC)o2)c1.
What is the InChIKey of methyl 5-(3-methoxycarbonylphenoxy)furan-2-carboxylate?
The InChIKey is ADHVLYNAMIBLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O6/c1-17-13(15)9-4-3-5-10(8-9)19-12-7-6-11(20-12)14(16)18-2/h3-8H,1-2H3.
What are the key properties of methyl 5-(3-methoxycarbonylphenoxy)furan-2-carboxylate?
methyl 5-(3-methoxycarbonylphenoxy)furan-2-carboxylate has a molecular weight of 276.24 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-methoxycarbonylphenoxy)furan-2-carboxylate is sourced from PubChem (CID 12756460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).