2,4-diphenyl-3-propan-2-yloxycarbonylcyclobutane-1-carboxylic acid

C21H22O4 — CID 2892220

IUPAC2,4-diphenyl-3-propan-2-yloxycarbonylcyclobutane-1-carboxylic acid
SMILESCC(C)OC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1
InChIInChI=1S/C21H22O4/c1-13(2)25-21(24)19-16(14-9-5-3-6-10-14)18(20(22)23)17(19)15-11-7-4-8-12-15/h3-13,16-19H,1-2H3,(H,22,23)
InChIKeyJPDDMZAETFWSGR-UHFFFAOYSA-N
MW338.40 g/mol
LogP3.84
Rot. Bonds5

About 2,4-diphenyl-3-propan-2-yloxycarbonylcyclobutane-1-carboxylic acid

2,4-diphenyl-3-propan-2-yloxycarbonylcyclobutane-1-carboxylic acid (PubChem CID 2892220) has the molecular formula C21H22O4 and a molecular weight of 338.40 g/mol. Its IUPAC name is 2,4-diphenyl-3-propan-2-yloxycarbonylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2,4-diphenyl-3-propan-2-yloxycarbonylcyclobutane-1-carboxylic acid
PubChem CID2892220
Molecular FormulaC21H22O4
Molecular Weight338.40 g/mol
Exact Mass338.15
IUPAC Name2,4-diphenyl-3-propan-2-yloxycarbonylcyclobutane-1-carboxylic acid
SMILESCC(C)OC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1
InChIInChI=1S/C21H22O4/c1-13(2)25-21(24)19-16(14-9-5-3-6-10-14)18(20(22)23)17(19)15-11-7-4-8-12-15/h3-13,16-19H,1-2H3,(H,22,23)
InChIKeyJPDDMZAETFWSGR-UHFFFAOYSA-N
XLogP3.84
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Diethyl 2,4-diacetyl-3-phenylpentanedioate
CID 297900
Truxillic acid
CID 78213
5-(Biphenyl-4-yl)-3-methoxypentanoic acid
CID 45482998
Diethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate
CID 1142028
trans-(2S,4S)-2,4-diphenyl-3-[(1R,2S)-2-phenylcyclohexyl]oxycarbonylcyclobutane-1-carboxylic acid
CID 130428277
trans-(2S,4S)-3-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
CID 130428465
3-(Octyloxycarbonyl)-2,4-diphenylcyclobutanecarboxylic acid
CID 3114056
Dimethyl 3-phenylglutarate
CID 4173488
trans-(2S,4S)-2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylic acid
CID 2275152
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-methylphenyl)propanoic acid
CID 3129813
trans-(2S,4S)-3-cyclohexyloxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
CID 51425874
trans-(2S,4S)-2,4-diphenyl-3-[(1S,2R)-2-phenylcyclohexyl]oxycarbonylcyclobutane-1-carboxylic acid
CID 145981133

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-3-propan-2-yloxycarbonylcyclobutane-1-carboxylic acid?
The IUPAC name of 2,4-diphenyl-3-propan-2-yloxycarbonylcyclobutane-1-carboxylic acid (CID 2892220) is 2,4-diphenyl-3-propan-2-yloxycarbonylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 2,4-diphenyl-3-propan-2-yloxycarbonylcyclobutane-1-carboxylic acid?
The canonical SMILES for 2,4-diphenyl-3-propan-2-yloxycarbonylcyclobutane-1-carboxylic acid is CC(C)OC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1.
What is the InChIKey of 2,4-diphenyl-3-propan-2-yloxycarbonylcyclobutane-1-carboxylic acid?
The InChIKey is JPDDMZAETFWSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O4/c1-13(2)25-21(24)19-16(14-9-5-3-6-10-14)18(20(22)23)17(19)15-11-7-4-8-12-15/h3-13,16-19H,1-2H3,(H,22,23).
What are the key properties of 2,4-diphenyl-3-propan-2-yloxycarbonylcyclobutane-1-carboxylic acid?
2,4-diphenyl-3-propan-2-yloxycarbonylcyclobutane-1-carboxylic acid has a molecular weight of 338.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-3-propan-2-yloxycarbonylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 2892220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).