ethyl 2-hydroxy-2-[4-(1-methoxycyclopropyl)phenyl]acetate

C14H18O4 — CID 117108759

IUPACethyl 2-hydroxy-2-[4-(1-methoxycyclopropyl)phenyl]acetate
SMILESCCOC(=O)C(O)c1ccc(C2(OC)CC2)cc1
InChIInChI=1S/C14H18O4/c1-3-18-13(16)12(15)10-4-6-11(7-5-10)14(17-2)8-9-14/h4-7,12,15H,3,8-9H2,1-2H3
InChIKeyMAFQEDSRVRTBMA-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.92
Rot. Bonds5

About ethyl 2-hydroxy-2-[4-(1-methoxycyclopropyl)phenyl]acetate

ethyl 2-hydroxy-2-[4-(1-methoxycyclopropyl)phenyl]acetate (PubChem CID 117108759) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-[4-(1-methoxycyclopropyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-[4-(1-methoxycyclopropyl)phenyl]acetate
PubChem CID117108759
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Nameethyl 2-hydroxy-2-[4-(1-methoxycyclopropyl)phenyl]acetate
SMILESCCOC(=O)C(O)c1ccc(C2(OC)CC2)cc1
InChIInChI=1S/C14H18O4/c1-3-18-13(16)12(15)10-4-6-11(7-5-10)14(17-2)8-9-14/h4-7,12,15H,3,8-9H2,1-2H3
InChIKeyMAFQEDSRVRTBMA-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-[3-(1-methoxycyclopropyl)phenyl]acetate
CID 117108760
ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
CID 12717588
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate
CID 94376499
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl (2S)-2-(4-tert-butylphenyl)-2-hydroxyacetate
CID 94376486
ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 885195
methyl 2-hydroxy-2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]acetate
CID 117108668
1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanol
CID 117108149
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate
CID 63648295

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-[4-(1-methoxycyclopropyl)phenyl]acetate?
The IUPAC name of ethyl 2-hydroxy-2-[4-(1-methoxycyclopropyl)phenyl]acetate (CID 117108759) is ethyl 2-hydroxy-2-[4-(1-methoxycyclopropyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-[4-(1-methoxycyclopropyl)phenyl]acetate?
The canonical SMILES for ethyl 2-hydroxy-2-[4-(1-methoxycyclopropyl)phenyl]acetate is CCOC(=O)C(O)c1ccc(C2(OC)CC2)cc1.
What is the InChIKey of ethyl 2-hydroxy-2-[4-(1-methoxycyclopropyl)phenyl]acetate?
The InChIKey is MAFQEDSRVRTBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-18-13(16)12(15)10-4-6-11(7-5-10)14(17-2)8-9-14/h4-7,12,15H,3,8-9H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-[4-(1-methoxycyclopropyl)phenyl]acetate?
ethyl 2-hydroxy-2-[4-(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-[4-(1-methoxycyclopropyl)phenyl]acetate is sourced from PubChem (CID 117108759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).