cis-(1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylic acid

C17H16O2 — CID 24766723

IUPACcis-(1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@]1(Cc2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H16O2/c18-16(19)17(11-13-7-3-1-4-8-13)12-15(17)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,19)/t15-,17+/m1/s1
InChIKeyYKTUTABZBJUJGI-WBVHZDCISA-N
MW252.31 g/mol
LogP3.49
Rot. Bonds4

About cis-(1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylic acid

cis-(1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 24766723) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is cis-(1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylic acid
PubChem CID24766723
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Namecis-(1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@]1(Cc2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H16O2/c18-16(19)17(11-13-7-3-1-4-8-13)12-15(17)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,19)/t15-,17+/m1/s1
InChIKeyYKTUTABZBJUJGI-WBVHZDCISA-N
XLogP3.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylic acid (CID 24766723) is cis-(1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylic acid is O=C(O)[C@@]1(Cc2ccccc2)C[C@@H]1c1ccccc1.
What is the InChIKey of cis-(1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is YKTUTABZBJUJGI-WBVHZDCISA-N. The full InChI is InChI=1S/C17H16O2/c18-16(19)17(11-13-7-3-1-4-8-13)12-15(17)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,19)/t15-,17+/m1/s1.
What are the key properties of cis-(1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylic acid?
cis-(1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-benzyl-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 24766723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).