trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate

C24H22O3 — CID 101031534

IUPACtrans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(c2ccccc2)C[C@]1(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C24H22O3/c1-26-21-15-13-20(14-16-21)23(18-9-5-3-6-10-18)17-24(23,22(25)27-2)19-11-7-4-8-12-19/h3-16H,17H2,1-2H3/t23-,24-/m0/s1
InChIKeyQUNIDTRYLXKWNF-ZEQRLZLVSA-N
MW358.44 g/mol
LogP4.50
Rot. Bonds5

About trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate

trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate (PubChem CID 101031534) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate
PubChem CID101031534
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Nametrans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(c2ccccc2)C[C@]1(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C24H22O3/c1-26-21-15-13-20(14-16-21)23(18-9-5-3-6-10-18)17-24(23,22(25)27-2)19-11-7-4-8-12-19/h3-16H,17H2,1-2H3/t23-,24-/m0/s1
InChIKeyQUNIDTRYLXKWNF-ZEQRLZLVSA-N
XLogP4.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate
CID 101031556
methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate
CID 100975897
cis-methyl (1S,2S)-2-(4-nitrophenyl)-1,2-diphenylcyclopropane-1-carboxylate
CID 101031531
1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254
methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate
CID 10958456
methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate
CID 7127361
methyl 2-phenylspiro[2.3]hexane-2-carboxylate
CID 134589125
methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate
CID 129408452
1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
CID 12846256
(1R)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;methanidyl (1S)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylate;tris(rhodium)
CID 162229405
methyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 158871678
dimethyl 4-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexane-1,1-dicarboxylate
CID 67965844

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate (CID 101031534) is trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate is COC(=O)[C@@]1(c2ccccc2)C[C@]1(c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate?
The InChIKey is QUNIDTRYLXKWNF-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H22O3/c1-26-21-15-13-20(14-16-21)23(18-9-5-3-6-10-18)17-24(23,22(25)27-2)19-11-7-4-8-12-19/h3-16H,17H2,1-2H3/t23-,24-/m0/s1.
What are the key properties of trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate?
trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate is sourced from PubChem (CID 101031534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).