propyl 2-ethyl-3-phenylcycloprop-2-ene-1-carboxylate

C15H18O2 — CID 588817

IUPACpropyl 2-ethyl-3-phenylcycloprop-2-ene-1-carboxylate
SMILESCCCOC(=O)C1C(CC)=C1c1ccccc1
InChIInChI=1S/C15H18O2/c1-3-10-17-15(16)14-12(4-2)13(14)11-8-6-5-7-9-11/h5-9,14H,3-4,10H2,1-2H3
InChIKeyPSPVKHGSMOAIGP-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.43
Rot. Bonds5

About propyl 2-ethyl-3-phenylcycloprop-2-ene-1-carboxylate

propyl 2-ethyl-3-phenylcycloprop-2-ene-1-carboxylate (PubChem CID 588817) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is propyl 2-ethyl-3-phenylcycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Namepropyl 2-ethyl-3-phenylcycloprop-2-ene-1-carboxylate
PubChem CID588817
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Namepropyl 2-ethyl-3-phenylcycloprop-2-ene-1-carboxylate
SMILESCCCOC(=O)C1C(CC)=C1c1ccccc1
InChIInChI=1S/C15H18O2/c1-3-10-17-15(16)14-12(4-2)13(14)11-8-6-5-7-9-11/h5-9,14H,3-4,10H2,1-2H3
InChIKeyPSPVKHGSMOAIGP-UHFFFAOYSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-iodoethyl 2,3-diphenylcycloprop-2-ene-1-carboxylate
CID 91737295
dipropyl 2,5-diphenylfuran-3,4-dicarboxylate
CID 141186958
4-phenylphenol;propyl 4-hydroxybenzoate
CID 174901062
16-propoxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 2828002
2,5-diphenyl-6-propoxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 21231858
diethyl (1R,2S)-3,4,5,6-tetraphenylcyclohexa-3,5-diene-1,2-dicarboxylate
CID 92844906
propyl acetate;propyl benzoate
CID 123140515
tripropyl cyclopropane-1,2,3-tricarboxylate
CID 177455130
phenol;propyl carbamate
CID 174701394
dipropyl naphthalene-1,4-dicarboxylate
CID 139070160
triphenyl(propoxycarbonyl)phosphanium
CID 155678624
1,1'-biphenyl;butyl benzoate
CID 67401065

Frequently Asked Questions

What is the IUPAC name of propyl 2-ethyl-3-phenylcycloprop-2-ene-1-carboxylate?
The IUPAC name of propyl 2-ethyl-3-phenylcycloprop-2-ene-1-carboxylate (CID 588817) is propyl 2-ethyl-3-phenylcycloprop-2-ene-1-carboxylate.
What is the SMILES notation for propyl 2-ethyl-3-phenylcycloprop-2-ene-1-carboxylate?
The canonical SMILES for propyl 2-ethyl-3-phenylcycloprop-2-ene-1-carboxylate is CCCOC(=O)C1C(CC)=C1c1ccccc1.
What is the InChIKey of propyl 2-ethyl-3-phenylcycloprop-2-ene-1-carboxylate?
The InChIKey is PSPVKHGSMOAIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-10-17-15(16)14-12(4-2)13(14)11-8-6-5-7-9-11/h5-9,14H,3-4,10H2,1-2H3.
What are the key properties of propyl 2-ethyl-3-phenylcycloprop-2-ene-1-carboxylate?
propyl 2-ethyl-3-phenylcycloprop-2-ene-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-ethyl-3-phenylcycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 588817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).