ethyl 2-hydroxy-2-[3-(1-methoxycyclopropyl)phenyl]acetate

C14H18O4 — CID 117108760

IUPACethyl 2-hydroxy-2-[3-(1-methoxycyclopropyl)phenyl]acetate
SMILESCCOC(=O)C(O)c1cccc(C2(OC)CC2)c1
InChIInChI=1S/C14H18O4/c1-3-18-13(16)12(15)10-5-4-6-11(9-10)14(17-2)7-8-14/h4-6,9,12,15H,3,7-8H2,1-2H3
InChIKeyDLWUELWWTDYABE-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.92
Rot. Bonds5

About ethyl 2-hydroxy-2-[3-(1-methoxycyclopropyl)phenyl]acetate

ethyl 2-hydroxy-2-[3-(1-methoxycyclopropyl)phenyl]acetate (PubChem CID 117108760) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-[3-(1-methoxycyclopropyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-[3-(1-methoxycyclopropyl)phenyl]acetate
PubChem CID117108760
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Nameethyl 2-hydroxy-2-[3-(1-methoxycyclopropyl)phenyl]acetate
SMILESCCOC(=O)C(O)c1cccc(C2(OC)CC2)c1
InChIInChI=1S/C14H18O4/c1-3-18-13(16)12(15)10-5-4-6-11(9-10)14(17-2)7-8-14/h4-6,9,12,15H,3,7-8H2,1-2H3
InChIKeyDLWUELWWTDYABE-UHFFFAOYSA-N
XLogP1.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxy-2-[4-(1-methoxycyclopropyl)phenyl]acetate
CID 117108759
ethyl 2-hydroxy-2-(3-pentan-3-ylphenyl)acetate
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ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate
CID 117367197
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
ethyl 2-[3-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetate
CID 117353293
ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate
CID 117415048
ethyl 2-(1,3-dihydro-2-benzofuran-5-yl)-2-hydroxyacetate
CID 117317830
ethyl 2-(3,4-dihydroxyphenyl)-2-hydroxyacetate
CID 69387082
ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate
CID 94365189
ethyl (2R)-2-[3-(4-bromobutoxy)phenyl]-2-hydroxyacetate
CID 69352259

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-[3-(1-methoxycyclopropyl)phenyl]acetate?
The IUPAC name of ethyl 2-hydroxy-2-[3-(1-methoxycyclopropyl)phenyl]acetate (CID 117108760) is ethyl 2-hydroxy-2-[3-(1-methoxycyclopropyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-[3-(1-methoxycyclopropyl)phenyl]acetate?
The canonical SMILES for ethyl 2-hydroxy-2-[3-(1-methoxycyclopropyl)phenyl]acetate is CCOC(=O)C(O)c1cccc(C2(OC)CC2)c1.
What is the InChIKey of ethyl 2-hydroxy-2-[3-(1-methoxycyclopropyl)phenyl]acetate?
The InChIKey is DLWUELWWTDYABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-18-13(16)12(15)10-5-4-6-11(9-10)14(17-2)7-8-14/h4-6,9,12,15H,3,7-8H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-[3-(1-methoxycyclopropyl)phenyl]acetate?
ethyl 2-hydroxy-2-[3-(1-methoxycyclopropyl)phenyl]acetate has a molecular weight of 250.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-[3-(1-methoxycyclopropyl)phenyl]acetate is sourced from PubChem (CID 117108760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).