ethyl (1R)-1-benzyl-2,2-diphenylcyclopropane-1-carboxylate

C25H24O2 — CID 166441676

IUPACethyl (1R)-1-benzyl-2,2-diphenylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(Cc2ccccc2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24O2/c1-2-27-23(26)24(18-20-12-6-3-7-13-20)19-25(24,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,2,18-19H2,1H3/t24-/m0/s1
InChIKeyJVMKLQDYYFUYRR-DEOSSOPVSA-N
MW356.47 g/mol
LogP5.17
Rot. Bonds6

About ethyl (1R)-1-benzyl-2,2-diphenylcyclopropane-1-carboxylate

ethyl (1R)-1-benzyl-2,2-diphenylcyclopropane-1-carboxylate (PubChem CID 166441676) has the molecular formula C25H24O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is ethyl (1R)-1-benzyl-2,2-diphenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R)-1-benzyl-2,2-diphenylcyclopropane-1-carboxylate
PubChem CID166441676
Molecular FormulaC25H24O2
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Nameethyl (1R)-1-benzyl-2,2-diphenylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(Cc2ccccc2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24O2/c1-2-27-23(26)24(18-20-12-6-3-7-13-20)19-25(24,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,2,18-19H2,1H3/t24-/m0/s1
InChIKeyJVMKLQDYYFUYRR-DEOSSOPVSA-N
XLogP5.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl (1R)-1-benzyl-2,2-diphenylcyclopropane-1-carboxylate?
The IUPAC name of ethyl (1R)-1-benzyl-2,2-diphenylcyclopropane-1-carboxylate (CID 166441676) is ethyl (1R)-1-benzyl-2,2-diphenylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl (1R)-1-benzyl-2,2-diphenylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl (1R)-1-benzyl-2,2-diphenylcyclopropane-1-carboxylate is CCOC(=O)[C@]1(Cc2ccccc2)CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (1R)-1-benzyl-2,2-diphenylcyclopropane-1-carboxylate?
The InChIKey is JVMKLQDYYFUYRR-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H24O2/c1-2-27-23(26)24(18-20-12-6-3-7-13-20)19-25(24,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,2,18-19H2,1H3/t24-/m0/s1.
What are the key properties of ethyl (1R)-1-benzyl-2,2-diphenylcyclopropane-1-carboxylate?
ethyl (1R)-1-benzyl-2,2-diphenylcyclopropane-1-carboxylate has a molecular weight of 356.47 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R)-1-benzyl-2,2-diphenylcyclopropane-1-carboxylate is sourced from PubChem (CID 166441676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).