3-(carboxymethoxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid

C20H18O6 — CID 2893016

IUPAC3-(carboxymethoxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
SMILESO=C(O)COC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1
InChIInChI=1S/C20H18O6/c21-14(22)11-26-20(25)18-15(12-7-3-1-4-8-12)17(19(23)24)16(18)13-9-5-2-6-10-13/h1-10,15-18H,11H2,(H,21,22)(H,23,24)
InChIKeyYDCIZKWYNIMQJI-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.51
Rot. Bonds6

About 3-(carboxymethoxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid

3-(carboxymethoxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid (PubChem CID 2893016) has the molecular formula C20H18O6 and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-(carboxymethoxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(carboxymethoxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
PubChem CID2893016
Molecular FormulaC20H18O6
Molecular Weight354.36 g/mol
Exact Mass354.11
IUPAC Name3-(carboxymethoxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
SMILESO=C(O)COC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1
InChIInChI=1S/C20H18O6/c21-14(22)11-26-20(25)18-15(12-7-3-1-4-8-12)17(19(23)24)16(18)13-9-5-2-6-10-13/h1-10,15-18H,11H2,(H,21,22)(H,23,24)
InChIKeyYDCIZKWYNIMQJI-UHFFFAOYSA-N
XLogP2.51
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethoxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid?
The IUPAC name of 3-(carboxymethoxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid (CID 2893016) is 3-(carboxymethoxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(carboxymethoxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(carboxymethoxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid is O=C(O)COC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1.
What is the InChIKey of 3-(carboxymethoxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid?
The InChIKey is YDCIZKWYNIMQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O6/c21-14(22)11-26-20(25)18-15(12-7-3-1-4-8-12)17(19(23)24)16(18)13-9-5-2-6-10-13/h1-10,15-18H,11H2,(H,21,22)(H,23,24).
What are the key properties of 3-(carboxymethoxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid?
3-(carboxymethoxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid has a molecular weight of 354.36 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethoxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 2893016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).