cis-(1S,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid

C12H14O2 — CID 90197759

IUPACcis-(1S,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid
SMILESCC[C@]1(C(=O)O)C[C@@H]1c1ccccc1
InChIInChI=1S/C12H14O2/c1-2-12(11(13)14)8-10(12)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,13,14)/t10-,12+/m1/s1
InChIKeyMHNILVJIEROMSM-PWSUYJOCSA-N
MW190.24 g/mol
LogP2.65
Rot. Bonds3

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

cis-(1S,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 90197759) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is cis-(1S,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid
PubChem CID90197759
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Namecis-(1S,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid
SMILESCC[C@]1(C(=O)O)C[C@@H]1c1ccccc1
InChIInChI=1S/C12H14O2/c1-2-12(11(13)14)8-10(12)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,13,14)/t10-,12+/m1/s1
InChIKeyMHNILVJIEROMSM-PWSUYJOCSA-N
XLogP2.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid (CID 90197759) is cis-(1S,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid is CC[C@]1(C(=O)O)C[C@@H]1c1ccccc1.
What is the InChIKey of cis-(1S,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is MHNILVJIEROMSM-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-12(11(13)14)8-10(12)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,13,14)/t10-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid?
cis-(1S,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 190.24 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 90197759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).