(2-phenoxycarbonylphenyl) furan-2-carboxylate

C18H12O5 — CID 795637

IUPAC(2-phenoxycarbonylphenyl) furan-2-carboxylate
SMILESO=C(Oc1ccccc1C(=O)Oc1ccccc1)c1ccco1
InChIInChI=1S/C18H12O5/c19-17(22-13-7-2-1-3-8-13)14-9-4-5-10-15(14)23-18(20)16-11-6-12-21-16/h1-12H
InChIKeyJKAVNLSUGXDGAZ-UHFFFAOYSA-N
MW308.29 g/mol
LogP3.72
Rot. Bonds4

About (2-phenoxycarbonylphenyl) furan-2-carboxylate

(2-phenoxycarbonylphenyl) furan-2-carboxylate (PubChem CID 795637) has the molecular formula C18H12O5 and a molecular weight of 308.29 g/mol. Its IUPAC name is (2-phenoxycarbonylphenyl) furan-2-carboxylate.

Molecular Properties

Compound Name(2-phenoxycarbonylphenyl) furan-2-carboxylate
PubChem CID795637
Molecular FormulaC18H12O5
Molecular Weight308.29 g/mol
Exact Mass308.07
IUPAC Name(2-phenoxycarbonylphenyl) furan-2-carboxylate
SMILESO=C(Oc1ccccc1C(=O)Oc1ccccc1)c1ccco1
InChIInChI=1S/C18H12O5/c19-17(22-13-7-2-1-3-8-13)14-9-4-5-10-15(14)23-18(20)16-11-6-12-21-16/h1-12H
InChIKeyJKAVNLSUGXDGAZ-UHFFFAOYSA-N
XLogP3.72
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Efloxate
CID 8395
Phenethyl 2-furoate
CID 251531
5-(2-Methoxyphenyl)-2-furoic acid
CID 776315
Acetic acid, 2-(2-formylphenoxy)-
CID 46533
2,2'-(Ethylenedioxy)dibenzaldehyde
CID 224214
Methyl benzoylsalicylate
CID 285225
Acetylsalicylic anhydride
CID 15110
4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester
CID 95935
Ethyl 4-oxo-4H-1-benzopyran-2-carboxylate
CID 26861
4-Acetylphenyl furan-2-carboxylate
CID 746500
Ethyl 4-(acetyloxy)-3-methyl-1-benzofuran-2-carboxylate
CID 790878
4-Formylphenyl 2-furoate
CID 677035

Frequently Asked Questions

What is the IUPAC name of (2-phenoxycarbonylphenyl) furan-2-carboxylate?
The IUPAC name of (2-phenoxycarbonylphenyl) furan-2-carboxylate (CID 795637) is (2-phenoxycarbonylphenyl) furan-2-carboxylate.
What is the SMILES notation for (2-phenoxycarbonylphenyl) furan-2-carboxylate?
The canonical SMILES for (2-phenoxycarbonylphenyl) furan-2-carboxylate is O=C(Oc1ccccc1C(=O)Oc1ccccc1)c1ccco1.
What is the InChIKey of (2-phenoxycarbonylphenyl) furan-2-carboxylate?
The InChIKey is JKAVNLSUGXDGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O5/c19-17(22-13-7-2-1-3-8-13)14-9-4-5-10-15(14)23-18(20)16-11-6-12-21-16/h1-12H.
What are the key properties of (2-phenoxycarbonylphenyl) furan-2-carboxylate?
(2-phenoxycarbonylphenyl) furan-2-carboxylate has a molecular weight of 308.29 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenoxycarbonylphenyl) furan-2-carboxylate is sourced from PubChem (CID 795637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).