methyl 5-(2-phenylmethoxycarbonylphenoxy)furan-2-carboxylate

C20H16O6 — CID 10665664

IUPACmethyl 5-(2-phenylmethoxycarbonylphenoxy)furan-2-carboxylate
SMILESCOC(=O)c1ccc(Oc2ccccc2C(=O)OCc2ccccc2)o1
InChIInChI=1S/C20H16O6/c1-23-20(22)17-11-12-18(26-17)25-16-10-6-5-9-15(16)19(21)24-13-14-7-3-2-4-8-14/h2-12H,13H2,1H3
InChIKeyMQBRQGKLCYVRND-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.22
Rot. Bonds6

About methyl 5-(2-phenylmethoxycarbonylphenoxy)furan-2-carboxylate

methyl 5-(2-phenylmethoxycarbonylphenoxy)furan-2-carboxylate (PubChem CID 10665664) has the molecular formula C20H16O6 and a molecular weight of 352.34 g/mol. Its IUPAC name is methyl 5-(2-phenylmethoxycarbonylphenoxy)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-phenylmethoxycarbonylphenoxy)furan-2-carboxylate
PubChem CID10665664
Molecular FormulaC20H16O6
Molecular Weight352.34 g/mol
Exact Mass352.09
IUPAC Namemethyl 5-(2-phenylmethoxycarbonylphenoxy)furan-2-carboxylate
SMILESCOC(=O)c1ccc(Oc2ccccc2C(=O)OCc2ccccc2)o1
InChIInChI=1S/C20H16O6/c1-23-20(22)17-11-12-18(26-17)25-16-10-6-5-9-15(16)19(21)24-13-14-7-3-2-4-8-14/h2-12H,13H2,1H3
InChIKeyMQBRQGKLCYVRND-UHFFFAOYSA-N
XLogP4.22
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-methoxycarbonylfuran-2-yl)oxybenzoic acid
CID 10563400
(4-phenylphenyl)methyl 2-methoxybenzoate
CID 18290046
(4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate
CID 2379646
benzyl 2-hydroxy-3-methoxybenzoate
CID 18075523
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
methyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate
CID 169094954
methyl 5-(2-azidophenoxy)furan-2-carboxylate
CID 12748629
methyl 5-[[2-(2-cyanophenyl)benzoyl]oxymethyl]furan-2-carboxylate
CID 8702041
benzyl 2-(difluoromethoxy)benzoate
CID 55327292
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
benzyl 2-(2-methylprop-2-enoyloxy)benzoate;ethane
CID 153361081
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-phenylmethoxycarbonylphenoxy)furan-2-carboxylate?
The IUPAC name of methyl 5-(2-phenylmethoxycarbonylphenoxy)furan-2-carboxylate (CID 10665664) is methyl 5-(2-phenylmethoxycarbonylphenoxy)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(2-phenylmethoxycarbonylphenoxy)furan-2-carboxylate?
The canonical SMILES for methyl 5-(2-phenylmethoxycarbonylphenoxy)furan-2-carboxylate is COC(=O)c1ccc(Oc2ccccc2C(=O)OCc2ccccc2)o1.
What is the InChIKey of methyl 5-(2-phenylmethoxycarbonylphenoxy)furan-2-carboxylate?
The InChIKey is MQBRQGKLCYVRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O6/c1-23-20(22)17-11-12-18(26-17)25-16-10-6-5-9-15(16)19(21)24-13-14-7-3-2-4-8-14/h2-12H,13H2,1H3.
What are the key properties of methyl 5-(2-phenylmethoxycarbonylphenoxy)furan-2-carboxylate?
methyl 5-(2-phenylmethoxycarbonylphenoxy)furan-2-carboxylate has a molecular weight of 352.34 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-phenylmethoxycarbonylphenoxy)furan-2-carboxylate is sourced from PubChem (CID 10665664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).