ethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate

C19H18O2 — CID 134888250

IUPACethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate
SMILESCCOC(=O)CC1C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C19H18O2/c1-2-21-17(20)13-16-18(14-9-5-3-6-10-14)19(16)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
InChIKeyZMCAFNZHQRVDBG-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.18
Rot. Bonds5

About ethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate

ethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate (PubChem CID 134888250) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate
PubChem CID134888250
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Nameethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate
SMILESCCOC(=O)CC1C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C19H18O2/c1-2-21-17(20)13-16-18(14-9-5-3-6-10-14)19(16)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
InChIKeyZMCAFNZHQRVDBG-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(1,3-dioxoinden-2-yl)acetate
CID 13130488
diethyl (1R,2S)-3,4,5,6-tetraphenylcyclohexa-3,5-diene-1,2-dicarboxylate
CID 92844906
ethyl (1R,2S,5R,6S,9R)-4,9-diphenyltricyclo[4.2.1.02,5]non-3-ene-3-carboxylate
CID 24778104
ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate
CID 141490917
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
ethyl 2-phenylacetate
CID 7590
ethyl 3-[(2R)-4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl]propanoate
CID 154723951
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl propanoate
CID 68972161
(2-ethoxy-2-oxoethyl)-diphenylsulfanium
CID 15442561
ethyl 2-phenylacetate;hydrate
CID 141257001
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
(2-ethoxy-2-oxoethyl) 4-phenylbenzoate
CID 78788675

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate?
The IUPAC name of ethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate (CID 134888250) is ethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate?
The canonical SMILES for ethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate is CCOC(=O)CC1C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of ethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate?
The InChIKey is ZMCAFNZHQRVDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-2-21-17(20)13-16-18(14-9-5-3-6-10-14)19(16)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3.
What are the key properties of ethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate?
ethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate has a molecular weight of 278.35 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate is sourced from PubChem (CID 134888250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).