2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylate

C25H21O4- — CID 78265535

IUPAC2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylate
SMILESO=C([O-])C1C(c2ccccc2)C(C(=O)OCc2ccccc2)C1c1ccccc1
InChIInChI=1S/C25H22O4/c26-24(27)22-20(18-12-6-2-7-13-18)23(21(22)19-14-8-3-9-15-19)25(28)29-16-17-10-4-1-5-11-17/h1-15,20-23H,16H2,(H,26,27)/p-1
InChIKeyMOGDSIWEUDLNRF-UHFFFAOYSA-M
MW385.44 g/mol
LogP3.29
Rot. Bonds6

About 2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylate

2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylate (PubChem CID 78265535) has the molecular formula C25H21O4- and a molecular weight of 385.44 g/mol. Its IUPAC name is 2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylate.

Molecular Properties

Compound Name2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylate
PubChem CID78265535
Molecular FormulaC25H21O4-
Molecular Weight385.44 g/mol
Exact Mass385.14
IUPAC Name2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylate
SMILESO=C([O-])C1C(c2ccccc2)C(C(=O)OCc2ccccc2)C1c1ccccc1
InChIInChI=1S/C25H22O4/c26-24(27)22-20(18-12-6-2-7-13-18)23(21(22)19-14-8-3-9-15-19)25(28)29-16-17-10-4-1-5-11-17/h1-15,20-23H,16H2,(H,26,27)/p-1
InChIKeyMOGDSIWEUDLNRF-UHFFFAOYSA-M
XLogP3.29
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dibenzyl adipate
CID 75561
Dibenzyl sebacate
CID 8790
1,2-Cyclohexanedicarboxylic Acid, 1-butyl 2-(phenylmethyl) ester
CID 67113211
Diethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate
CID 1142028
dibenzyl 2-[(1R)-3-oxocyclohexyl]propanedioate
CID 11025308
trans-(2S,4S)-2,4-diphenyl-3-[(1R,2S)-2-phenylcyclohexyl]oxycarbonylcyclobutane-1-carboxylic acid
CID 130428277
trans-(2S,4S)-3-[(4-fluorophenyl)methoxycarbonyl]-2,4-diphenylcyclobutane-1-carboxylic acid
CID 130428460
trans-(2S,4S)-3-[(4-bromophenyl)methoxycarbonyl]-2,4-diphenylcyclobutane-1-carboxylic acid
CID 130428466
2-(3-Oxo-cyclohexyl)-malonic acid dibenzyl ester
CID 6636170
Dibenzyl azelate
CID 74734
Octanedioic acid, 1,8-bis(phenylmethyl) ester
CID 170648
trans-(2S,4S)-2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylic acid
CID 2275152

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylate?
The IUPAC name of 2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylate (CID 78265535) is 2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylate.
What is the SMILES notation for 2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylate?
The canonical SMILES for 2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylate is O=C([O-])C1C(c2ccccc2)C(C(=O)OCc2ccccc2)C1c1ccccc1.
What is the InChIKey of 2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylate?
The InChIKey is MOGDSIWEUDLNRF-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H22O4/c26-24(27)22-20(18-12-6-2-7-13-18)23(21(22)19-14-8-3-9-15-19)25(28)29-16-17-10-4-1-5-11-17/h1-15,20-23H,16H2,(H,26,27)/p-1.
What are the key properties of 2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylate?
2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylate has a molecular weight of 385.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylate is sourced from PubChem (CID 78265535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).