trans-(2S,4S)-3-cyclohexyloxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid

C24H26O4 — CID 51425874

IUPACtrans-(2S,4S)-3-cyclohexyloxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1[C@H](c2ccccc2)C(C(=O)OC2CCCCC2)[C@H]1c1ccccc1
InChIInChI=1S/C24H26O4/c25-23(26)21-19(16-10-4-1-5-11-16)22(20(21)17-12-6-2-7-13-17)24(27)28-18-14-8-3-9-15-18/h1-2,4-7,10-13,18-22H,3,8-9,14-15H2,(H,25,26)/t19-,20-,21?,22?/m0/s1
InChIKeyKVRPLCLCJWQZCI-PHZLKFDYSA-N
MW378.47 g/mol
LogP4.76
Rot. Bonds5

About trans-(2S,4S)-3-cyclohexyloxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid

trans-(2S,4S)-3-cyclohexyloxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid (PubChem CID 51425874) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is trans-(2S,4S)-3-cyclohexyloxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(2S,4S)-3-cyclohexyloxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
PubChem CID51425874
Molecular FormulaC24H26O4
Molecular Weight378.47 g/mol
Exact Mass378.18
IUPAC Nametrans-(2S,4S)-3-cyclohexyloxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1[C@H](c2ccccc2)C(C(=O)OC2CCCCC2)[C@H]1c1ccccc1
InChIInChI=1S/C24H26O4/c25-23(26)21-19(16-10-4-1-5-11-16)22(20(21)17-12-6-2-7-13-17)24(27)28-18-14-8-3-9-15-18/h1-2,4-7,10-13,18-22H,3,8-9,14-15H2,(H,25,26)/t19-,20-,21?,22?/m0/s1
InChIKeyKVRPLCLCJWQZCI-PHZLKFDYSA-N
XLogP4.76
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(2S,4S)-3-cyclohexyloxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid?
The IUPAC name of trans-(2S,4S)-3-cyclohexyloxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid (CID 51425874) is trans-(2S,4S)-3-cyclohexyloxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid.
What is the SMILES notation for trans-(2S,4S)-3-cyclohexyloxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid?
The canonical SMILES for trans-(2S,4S)-3-cyclohexyloxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid is O=C(O)C1[C@H](c2ccccc2)C(C(=O)OC2CCCCC2)[C@H]1c1ccccc1.
What is the InChIKey of trans-(2S,4S)-3-cyclohexyloxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid?
The InChIKey is KVRPLCLCJWQZCI-PHZLKFDYSA-N. The full InChI is InChI=1S/C24H26O4/c25-23(26)21-19(16-10-4-1-5-11-16)22(20(21)17-12-6-2-7-13-17)24(27)28-18-14-8-3-9-15-18/h1-2,4-7,10-13,18-22H,3,8-9,14-15H2,(H,25,26)/t19-,20-,21?,22?/m0/s1.
What are the key properties of trans-(2S,4S)-3-cyclohexyloxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid?
trans-(2S,4S)-3-cyclohexyloxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid has a molecular weight of 378.47 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,4S)-3-cyclohexyloxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 51425874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).