copper(1+);2-phenylmethoxycarbonylbenzoate

C15H11CuO4 — CID 158888431

IUPACcopper(1+);2-phenylmethoxycarbonylbenzoate
SMILESO=C([O-])c1ccccc1C(=O)OCc1ccccc1.[Cu+]
InChIInChI=1S/C15H12O4.Cu/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11;/h1-9H,10H2,(H,16,17);/q;+1/p-1
InChIKeyJDXMJIXIWUPRBZ-UHFFFAOYSA-M
MW318.80 g/mol
LogP1.40
Rot. Bonds4

About copper(1+);2-phenylmethoxycarbonylbenzoate

copper(1+);2-phenylmethoxycarbonylbenzoate (PubChem CID 158888431) has the molecular formula C15H11CuO4 and a molecular weight of 318.80 g/mol. Its IUPAC name is copper(1+);2-phenylmethoxycarbonylbenzoate.

Molecular Properties

Compound Namecopper(1+);2-phenylmethoxycarbonylbenzoate
PubChem CID158888431
Molecular FormulaC15H11CuO4
Molecular Weight318.80 g/mol
Exact Mass318.00
IUPAC Namecopper(1+);2-phenylmethoxycarbonylbenzoate
SMILESO=C([O-])c1ccccc1C(=O)OCc1ccccc1.[Cu+]
InChIInChI=1S/C15H12O4.Cu/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11;/h1-9H,10H2,(H,16,17);/q;+1/p-1
InChIKeyJDXMJIXIWUPRBZ-UHFFFAOYSA-M
XLogP1.40
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(naphthalen-2-ylmethoxycarbonyl)benzoate
CID 71333612
benzyl 2-(3-hydroxypropanoyl)benzoate
CID 164827518
1-O-benzyl 2-O-phosphono benzene-1,2-dicarboxylate
CID 57186966
2-(2-hydroxyethoxycarbonyl)benzoate
CID 7034609
bis(4-methylpentan-2-yl) benzene-1,2-dicarboxylate;dibenzyl benzene-1,2-dicarboxylate
CID 175392349
benzyl benzoate
CID 2345
5-hydroxy-2-phenylmethoxycarbonylbenzoic acid
CID 70424833
benzyl 2,3-difluorobenzoate
CID 62867579
benzyl 2-(dimethylamino)benzoate
CID 58143131
bis[(4-nitrophenyl)methyl] benzene-1,2-dicarboxylate
CID 88636598
dibenzyl 4-bromobenzene-1,2-dicarboxylate
CID 23134371
benzyl 2-fluoro-3-hydroxybenzoate
CID 561298

Frequently Asked Questions

What is the IUPAC name of copper(1+);2-phenylmethoxycarbonylbenzoate?
The IUPAC name of copper(1+);2-phenylmethoxycarbonylbenzoate (CID 158888431) is copper(1+);2-phenylmethoxycarbonylbenzoate.
What is the SMILES notation for copper(1+);2-phenylmethoxycarbonylbenzoate?
The canonical SMILES for copper(1+);2-phenylmethoxycarbonylbenzoate is O=C([O-])c1ccccc1C(=O)OCc1ccccc1.[Cu+].
What is the InChIKey of copper(1+);2-phenylmethoxycarbonylbenzoate?
The InChIKey is JDXMJIXIWUPRBZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12O4.Cu/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11;/h1-9H,10H2,(H,16,17);/q;+1/p-1.
What are the key properties of copper(1+);2-phenylmethoxycarbonylbenzoate?
copper(1+);2-phenylmethoxycarbonylbenzoate has a molecular weight of 318.80 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);2-phenylmethoxycarbonylbenzoate is sourced from PubChem (CID 158888431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).