cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate

C19H17O4- — CID 6921319

IUPACcis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate
SMILESCOC(=O)C1[C@H](c2ccccc2)C(C(=O)[O-])[C@@H]1c1ccccc1
InChIInChI=1S/C19H18O4/c1-23-19(22)17-14(12-8-4-2-5-9-12)16(18(20)21)15(17)13-10-6-3-7-11-13/h2-11,14-17H,1H3,(H,20,21)/p-1/t14-,15+,16?,17?
InChIKeyTWVUUWMGOMIING-RYTJFDOTSA-M
MW309.34 g/mol
LogP1.72
Rot. Bonds4

About cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate

cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate (PubChem CID 6921319) has the molecular formula C19H17O4- and a molecular weight of 309.34 g/mol. Its IUPAC name is cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namecis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate
PubChem CID6921319
Molecular FormulaC19H17O4-
Molecular Weight309.34 g/mol
Exact Mass309.11
IUPAC Namecis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate
SMILESCOC(=O)C1[C@H](c2ccccc2)C(C(=O)[O-])[C@@H]1c1ccccc1
InChIInChI=1S/C19H18O4/c1-23-19(22)17-14(12-8-4-2-5-9-12)16(18(20)21)15(17)13-10-6-3-7-11-13/h2-11,14-17H,1H3,(H,20,21)/p-1/t14-,15+,16?,17?
InChIKeyTWVUUWMGOMIING-RYTJFDOTSA-M
XLogP1.72
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
trans-(2S,4S)-3-(carboxylatomethoxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylate
CID 6970306
trans-(2R,4R)-3-(2-methylphenoxy)carbonyl-2,4-diphenylcyclobutane-1-carboxylate
CID 7375093
dimethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate;ethane;bis(methyl 3-phenylprop-2-enoate)
CID 162035860
trans-(2R,4R)-2,4-bis(4-hydroxyphenyl)-3-methoxycarbonylcyclobutane-1-carboxylic acid
CID 95224847
sodium 3-naphthalen-1-yloxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate
CID 156597128
methyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate
CID 646595
dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 101203348
trans-1-O-(furan-2-ylmethyl) 3-O-methyl (2S,4S)-2,4-diphenylcyclobutane-1,3-dicarboxylate
CID 1150733
dimethyl (2R,3S,4S,5R)-1-methyl-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 13169497
methyl (1R,2R,3R)-2-[4-(3,3-dimethylazetidin-1-yl)phenyl]-3-phenylcyclopropane-1-carboxylate
CID 90198457

Frequently Asked Questions

What is the IUPAC name of cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate?
The IUPAC name of cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate (CID 6921319) is cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate.
What is the SMILES notation for cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate?
The canonical SMILES for cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate is COC(=O)C1[C@H](c2ccccc2)C(C(=O)[O-])[C@@H]1c1ccccc1.
What is the InChIKey of cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate?
The InChIKey is TWVUUWMGOMIING-RYTJFDOTSA-M. The full InChI is InChI=1S/C19H18O4/c1-23-19(22)17-14(12-8-4-2-5-9-12)16(18(20)21)15(17)13-10-6-3-7-11-13/h2-11,14-17H,1H3,(H,20,21)/p-1/t14-,15+,16?,17?.
What are the key properties of cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate?
cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate has a molecular weight of 309.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate is sourced from PubChem (CID 6921319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).