cis-methyl (1R,2R)-2-phenyl-1-(2-phenylethenyl)cyclopropane-1-carboxylate

C19H18O2 — CID 123994231

IUPACcis-methyl (1R,2R)-2-phenyl-1-(2-phenylethenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(C=Cc2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H18O2/c1-21-18(20)19(13-12-15-8-4-2-5-9-15)14-17(19)16-10-6-3-7-11-16/h2-13,17H,14H2,1H3/t17-,19+/m1/s1
InChIKeyWWZNHKNFIRONNI-MJGOQNOKSA-N
MW278.35 g/mol
LogP4.05
Rot. Bonds4

About cis-methyl (1R,2R)-2-phenyl-1-(2-phenylethenyl)cyclopropane-1-carboxylate

cis-methyl (1R,2R)-2-phenyl-1-(2-phenylethenyl)cyclopropane-1-carboxylate (PubChem CID 123994231) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is cis-methyl (1R,2R)-2-phenyl-1-(2-phenylethenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2R)-2-phenyl-1-(2-phenylethenyl)cyclopropane-1-carboxylate
PubChem CID123994231
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Namecis-methyl (1R,2R)-2-phenyl-1-(2-phenylethenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(C=Cc2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H18O2/c1-21-18(20)19(13-12-15-8-4-2-5-9-15)14-17(19)16-10-6-3-7-11-16/h2-13,17H,14H2,1H3/t17-,19+/m1/s1
InChIKeyWWZNHKNFIRONNI-MJGOQNOKSA-N
XLogP4.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2R)-2-phenyl-1-(2-phenylethenyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2R)-2-phenyl-1-(2-phenylethenyl)cyclopropane-1-carboxylate (CID 123994231) is cis-methyl (1R,2R)-2-phenyl-1-(2-phenylethenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2R)-2-phenyl-1-(2-phenylethenyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2R)-2-phenyl-1-(2-phenylethenyl)cyclopropane-1-carboxylate is COC(=O)[C@@]1(C=Cc2ccccc2)C[C@@H]1c1ccccc1.
What is the InChIKey of cis-methyl (1R,2R)-2-phenyl-1-(2-phenylethenyl)cyclopropane-1-carboxylate?
The InChIKey is WWZNHKNFIRONNI-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H18O2/c1-21-18(20)19(13-12-15-8-4-2-5-9-15)14-17(19)16-10-6-3-7-11-16/h2-13,17H,14H2,1H3/t17-,19+/m1/s1.
What are the key properties of cis-methyl (1R,2R)-2-phenyl-1-(2-phenylethenyl)cyclopropane-1-carboxylate?
cis-methyl (1R,2R)-2-phenyl-1-(2-phenylethenyl)cyclopropane-1-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2R)-2-phenyl-1-(2-phenylethenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 123994231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).