ethyl 2-(4-cyclopropylphenyl)-2-(4-methylphenoxy)acetate

C20H22O3 — CID 178149476

IUPACethyl 2-(4-cyclopropylphenyl)-2-(4-methylphenoxy)acetate
SMILESCCOC(=O)C(Oc1ccc(C)cc1)c1ccc(C2CC2)cc1
InChIInChI=1S/C20H22O3/c1-3-22-20(21)19(23-18-12-4-14(2)5-13-18)17-10-8-16(9-11-17)15-6-7-15/h4-5,8-13,15,19H,3,6-7H2,1-2H3
InChIKeySMNVNFMOPBRTFE-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.56
Rot. Bonds6

About ethyl 2-(4-cyclopropylphenyl)-2-(4-methylphenoxy)acetate

ethyl 2-(4-cyclopropylphenyl)-2-(4-methylphenoxy)acetate (PubChem CID 178149476) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is ethyl 2-(4-cyclopropylphenyl)-2-(4-methylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(4-cyclopropylphenyl)-2-(4-methylphenoxy)acetate
PubChem CID178149476
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Nameethyl 2-(4-cyclopropylphenyl)-2-(4-methylphenoxy)acetate
SMILESCCOC(=O)C(Oc1ccc(C)cc1)c1ccc(C2CC2)cc1
InChIInChI=1S/C20H22O3/c1-3-22-20(21)19(23-18-12-4-14(2)5-13-18)17-10-8-16(9-11-17)15-6-7-15/h4-5,8-13,15,19H,3,6-7H2,1-2H3
InChIKeySMNVNFMOPBRTFE-UHFFFAOYSA-N
XLogP4.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-methylphenoxy)-2-phenylacetate
CID 103601098
ethyl 2-[4-(oxan-4-yl)phenoxy]propanoate
CID 22765982
ethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate
CID 106676827
ethyl 2-hydroxy-2-[4-(oxan-4-yl)phenyl]acetate
CID 117415045
ethyl 2-(4-methylphenoxy)butanoate
CID 64662052
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
[4-(4-propylcyclohexyl)phenyl] 4-methylbenzoate
CID 3093775
(4-cyclopentylphenyl) ethyl carbonate
CID 152547473
(4-cyclopropylphenyl)-(4-propoxyphenyl)methanol
CID 79970800
diethyl (2R,3R)-2-bromo-3-(4-methylphenyl)butanedioate
CID 7046713
(4-methylphenyl) 4-(4-pentylcyclohexyl)benzoate
CID 23334784
ethyl 2-[4-(4-methylcyclohexyl)phenyl]-2-oxoacetate
CID 117438595

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-cyclopropylphenyl)-2-(4-methylphenoxy)acetate?
The IUPAC name of ethyl 2-(4-cyclopropylphenyl)-2-(4-methylphenoxy)acetate (CID 178149476) is ethyl 2-(4-cyclopropylphenyl)-2-(4-methylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(4-cyclopropylphenyl)-2-(4-methylphenoxy)acetate?
The canonical SMILES for ethyl 2-(4-cyclopropylphenyl)-2-(4-methylphenoxy)acetate is CCOC(=O)C(Oc1ccc(C)cc1)c1ccc(C2CC2)cc1.
What is the InChIKey of ethyl 2-(4-cyclopropylphenyl)-2-(4-methylphenoxy)acetate?
The InChIKey is SMNVNFMOPBRTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-3-22-20(21)19(23-18-12-4-14(2)5-13-18)17-10-8-16(9-11-17)15-6-7-15/h4-5,8-13,15,19H,3,6-7H2,1-2H3.
What are the key properties of ethyl 2-(4-cyclopropylphenyl)-2-(4-methylphenoxy)acetate?
ethyl 2-(4-cyclopropylphenyl)-2-(4-methylphenoxy)acetate has a molecular weight of 310.39 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-cyclopropylphenyl)-2-(4-methylphenoxy)acetate is sourced from PubChem (CID 178149476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).