2-methoxycarbonyl-4-phenoxybenzoic acid

C15H12O5 — CID 142601044

IUPAC2-methoxycarbonyl-4-phenoxybenzoic acid
SMILESCOC(=O)c1cc(Oc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C15H12O5/c1-19-15(18)13-9-11(7-8-12(13)14(16)17)20-10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)
InChIKeyNCGSLOJJPBXZQU-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.96
Rot. Bonds4

About 2-methoxycarbonyl-4-phenoxybenzoic acid

2-methoxycarbonyl-4-phenoxybenzoic acid (PubChem CID 142601044) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-methoxycarbonyl-4-phenoxybenzoic acid.

Molecular Properties

Compound Name2-methoxycarbonyl-4-phenoxybenzoic acid
PubChem CID142601044
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name2-methoxycarbonyl-4-phenoxybenzoic acid
SMILESCOC(=O)c1cc(Oc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C15H12O5/c1-19-15(18)13-9-11(7-8-12(13)14(16)17)20-10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)
InChIKeyNCGSLOJJPBXZQU-UHFFFAOYSA-N
XLogP2.96
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3,5-bis(4-aminophenoxy)phenoxy]-2-methoxycarbonylbenzoic acid
CID 101018692
methyl 2-methoxy-5-phenoxybenzoate
CID 82552164
methyl 2-ethyl-4-phenoxybenzoate
CID 154641333
methyl 2-ethenyl-4-phenoxybenzoate
CID 154641334
methyl 4-phenoxy-2-(propan-2-ylamino)benzoate
CID 72725192
2-ethyl-4-phenoxybenzoic acid;tungsten
CID 167701074
1-methyl-4-phenoxybenzene;phthalic acid
CID 70486584
4-(4-carboxy-3-methoxycarbonylphenyl)-2-methoxycarbonylbenzoic acid;dihydrochloride
CID 175770469
dimethyl 2-phenoxybenzene-1,4-dicarboxylate
CID 23436153
4-(3-carboxy-4-phenylmethoxycarbonylphenoxy)-2-phenylmethoxycarbonylbenzoic acid
CID 58500806
4-chloro-2-methoxycarbonylbenzoic acid
CID 58541939
methyl 2-chloro-4-fluorobenzoate;methyl 2-chloro-4-phenoxybenzoate;phenol
CID 157480353

Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonyl-4-phenoxybenzoic acid?
The IUPAC name of 2-methoxycarbonyl-4-phenoxybenzoic acid (CID 142601044) is 2-methoxycarbonyl-4-phenoxybenzoic acid.
What is the SMILES notation for 2-methoxycarbonyl-4-phenoxybenzoic acid?
The canonical SMILES for 2-methoxycarbonyl-4-phenoxybenzoic acid is COC(=O)c1cc(Oc2ccccc2)ccc1C(=O)O.
What is the InChIKey of 2-methoxycarbonyl-4-phenoxybenzoic acid?
The InChIKey is NCGSLOJJPBXZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-19-15(18)13-9-11(7-8-12(13)14(16)17)20-10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17).
What are the key properties of 2-methoxycarbonyl-4-phenoxybenzoic acid?
2-methoxycarbonyl-4-phenoxybenzoic acid has a molecular weight of 272.26 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonyl-4-phenoxybenzoic acid is sourced from PubChem (CID 142601044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).