cis-ethyl (1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylate

C19H20O2 — CID 24766611

IUPACcis-ethyl (1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@]1(Cc2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H20O2/c1-2-21-18(20)19(13-15-9-5-3-6-10-15)14-17(19)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3/t17-,19+/m1/s1
InChIKeyNNLYGDONIRVPNI-MJGOQNOKSA-N
MW280.37 g/mol
LogP3.97
Rot. Bonds5

About cis-ethyl (1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylate

cis-ethyl (1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylate (PubChem CID 24766611) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is cis-ethyl (1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylate
PubChem CID24766611
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Namecis-ethyl (1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@]1(Cc2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H20O2/c1-2-21-18(20)19(13-15-9-5-3-6-10-15)14-17(19)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3/t17-,19+/m1/s1
InChIKeyNNLYGDONIRVPNI-MJGOQNOKSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenethyl phenylacetate
CID 7601
Iophendylate
CID 7458
Ethyl 3-phenylpropionate
CID 16237
Phenethyl octanoate
CID 229888
Ethyl 4-phenylbutanoate
CID 61452
3-Phenyl propyl hexanoate
CID 221417
Benzeneacetic acid, alpha-methyl-, ethyl ester
CID 99643
Citronellyl phenylacetate
CID 8767
Phenethyl decanoate
CID 112733
Ethyl 2-ethyl-3-phenylpropanoate
CID 62469
Benzenepropanoic acid, 3-phenylpropyl ester
CID 108879
4-Biphenylylacetic acid ethyl ester
CID 26436

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylate (CID 24766611) is cis-ethyl (1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylate is CCOC(=O)[C@@]1(Cc2ccccc2)C[C@@H]1c1ccccc1.
What is the InChIKey of cis-ethyl (1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylate?
The InChIKey is NNLYGDONIRVPNI-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H20O2/c1-2-21-18(20)19(13-15-9-5-3-6-10-15)14-17(19)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3/t17-,19+/m1/s1.
What are the key properties of cis-ethyl (1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylate?
cis-ethyl (1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 24766611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).