2,4-diphenyl-3-(1-phenylethoxycarbonyl)cyclobutane-1-carboxylic acid

C26H24O4 — CID 123842840

IUPAC2,4-diphenyl-3-(1-phenylethoxycarbonyl)cyclobutane-1-carboxylic acid
SMILESCC(OC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24O4/c1-17(18-11-5-2-6-12-18)30-26(29)24-21(19-13-7-3-8-14-19)23(25(27)28)22(24)20-15-9-4-10-16-20/h2-17,21-24H,1H3,(H,27,28)
InChIKeyOEKWAXODHCSJHL-UHFFFAOYSA-N
MW400.47 g/mol
LogP5.19
Rot. Bonds6

About 2,4-diphenyl-3-(1-phenylethoxycarbonyl)cyclobutane-1-carboxylic acid

2,4-diphenyl-3-(1-phenylethoxycarbonyl)cyclobutane-1-carboxylic acid (PubChem CID 123842840) has the molecular formula C26H24O4 and a molecular weight of 400.47 g/mol. Its IUPAC name is 2,4-diphenyl-3-(1-phenylethoxycarbonyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2,4-diphenyl-3-(1-phenylethoxycarbonyl)cyclobutane-1-carboxylic acid
PubChem CID123842840
Molecular FormulaC26H24O4
Molecular Weight400.47 g/mol
Exact Mass400.17
IUPAC Name2,4-diphenyl-3-(1-phenylethoxycarbonyl)cyclobutane-1-carboxylic acid
SMILESCC(OC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24O4/c1-17(18-11-5-2-6-12-18)30-26(29)24-21(19-13-7-3-8-14-19)23(25(27)28)22(24)20-15-9-4-10-16-20/h2-17,21-24H,1H3,(H,27,28)
InChIKeyOEKWAXODHCSJHL-UHFFFAOYSA-N
XLogP5.19
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 158514754
CID 158514754
cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
CID 686165
cis-(2S,4R)-2,4-diphenyl-3-propan-2-yloxycarbonylcyclobutane-1-carboxylate
CID 6923547
[(1S)-1-phenylethyl] 4-aminocyclohexane-1-carboxylate
CID 155402407
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
trans-(2R,4R)-2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylic acid
CID 2275154
3-butoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
CID 171979757
bis(1-phenylethyl) 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 87273977
1-phenylethyl prop-2-enoate
CID 175321764
[(1R)-1-phenylethyl] (2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxylate
CID 134939139
1-phenylethyl (2S)-2-aminopropanoate
CID 61279668
1-phenylethyl benzoate
CID 174857426

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-3-(1-phenylethoxycarbonyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2,4-diphenyl-3-(1-phenylethoxycarbonyl)cyclobutane-1-carboxylic acid (CID 123842840) is 2,4-diphenyl-3-(1-phenylethoxycarbonyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2,4-diphenyl-3-(1-phenylethoxycarbonyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2,4-diphenyl-3-(1-phenylethoxycarbonyl)cyclobutane-1-carboxylic acid is CC(OC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1)c1ccccc1.
What is the InChIKey of 2,4-diphenyl-3-(1-phenylethoxycarbonyl)cyclobutane-1-carboxylic acid?
The InChIKey is OEKWAXODHCSJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O4/c1-17(18-11-5-2-6-12-18)30-26(29)24-21(19-13-7-3-8-14-19)23(25(27)28)22(24)20-15-9-4-10-16-20/h2-17,21-24H,1H3,(H,27,28).
What are the key properties of 2,4-diphenyl-3-(1-phenylethoxycarbonyl)cyclobutane-1-carboxylic acid?
2,4-diphenyl-3-(1-phenylethoxycarbonyl)cyclobutane-1-carboxylic acid has a molecular weight of 400.47 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-3-(1-phenylethoxycarbonyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 123842840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).