ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid

C22H24O4 — CID 70636165

IUPACethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
SMILESCCOC(=O)C1CC1c1ccccc1.O=C(O)C1CC1c1ccccc1
InChIInChI=1S/C12H14O2.C10H10O2/c1-2-14-12(13)11-8-10(11)9-6-4-3-5-7-9;11-10(12)9-6-8(9)7-4-2-1-3-5-7/h3-7,10-11H,2,8H2,1H3;1-5,8-9H,6H2,(H,11,12)
InChIKeyIGZQBWCTEBOZLB-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.23
Rot. Bonds5

About ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid

ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid (PubChem CID 70636165) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nameethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
PubChem CID70636165
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Nameethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
SMILESCCOC(=O)C1CC1c1ccccc1.O=C(O)C1CC1c1ccccc1
InChIInChI=1S/C12H14O2.C10H10O2/c1-2-14-12(13)11-8-10(11)9-6-4-3-5-7-9;11-10(12)9-6-8(9)7-4-2-1-3-5-7/h3-7,10-11H,2,8H2,1H3;1-5,8-9H,6H2,(H,11,12)
InChIKeyIGZQBWCTEBOZLB-UHFFFAOYSA-N
XLogP4.23
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
ethyl (2S)-2-phenylcyclohexane-1-carboxylate
CID 101094608
cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate
CID 15758689
octyl 2-phenylcyclopropane-1-carboxylate
CID 91709958
trans-ethyl (1R,2R)-2-phenyl-4-(3-phenylpropyl)cyclopentane-1-carboxylate
CID 170620520
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
trans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate
CID 101266257
ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate
CID 70420444
trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate
CID 66837013
trans-ethyl (1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 90226075

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid (CID 70636165) is ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid is CCOC(=O)C1CC1c1ccccc1.O=C(O)C1CC1c1ccccc1.
What is the InChIKey of ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is IGZQBWCTEBOZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2.C10H10O2/c1-2-14-12(13)11-8-10(11)9-6-4-3-5-7-9;11-10(12)9-6-8(9)7-4-2-1-3-5-7/h3-7,10-11H,2,8H2,1H3;1-5,8-9H,6H2,(H,11,12).
What are the key properties of ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid?
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 352.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 70636165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).