ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate

C19H22O4 — CID 154100490

IUPACethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C19H22O4/c1-4-21-18(20)19(2,3)23-17-12-10-15(11-13-17)14-22-16-8-6-5-7-9-16/h5-13H,4,14H2,1-3H3
InChIKeySTPHCUMYWCENNR-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.99
Rot. Bonds7

About ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate

ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate (PubChem CID 154100490) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate
PubChem CID154100490
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Nameethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C19H22O4/c1-4-21-18(20)19(2,3)23-17-12-10-15(11-13-17)14-22-16-8-6-5-7-9-16/h5-13H,4,14H2,1-3H3
InChIKeySTPHCUMYWCENNR-UHFFFAOYSA-N
XLogP3.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;ethyl 2-methyl-2-phenoxypropanoate;phenol
CID 159600538
3-ethoxy-3-oxo-2-phenoxy-2-[(4-phenylmethoxyphenyl)methyl]propanoic acid
CID 141009558
ethyl 2-methyl-2-[4-[2-(2-phenylethylamino)ethyl]phenoxy]propanoate
CID 59298851
(2R)-3-ethoxy-2-methyl-3-oxo-2-[(4-phenylmethoxyphenyl)methyl]propanoic acid
CID 101480008
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023
ethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate
CID 156541205
4-(2-methyl-1-oxo-1-phenylmethoxypropan-2-yl)oxybenzoic acid
CID 67548633
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
ethyl 2-methyl-2-[4-[2-(3-phenylpropylamino)ethyl]phenoxy]propanoate
CID 69099777
ethyl 2-(3-fluorophenoxy)-2-methyl-3-(4-phenylmethoxyphenyl)propanoate
CID 69353995
diethyl 2-[(4-phenylmethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)propanedioate
CID 18625725
ethyl 2-(4-ethynylphenoxy)-2-methylpropanoate
CID 21494890

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate?
The IUPAC name of ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate (CID 154100490) is ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate is CCOC(=O)C(C)(C)Oc1ccc(COc2ccccc2)cc1.
What is the InChIKey of ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate?
The InChIKey is STPHCUMYWCENNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-4-21-18(20)19(2,3)23-17-12-10-15(11-13-17)14-22-16-8-6-5-7-9-16/h5-13H,4,14H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate?
ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate has a molecular weight of 314.38 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate is sourced from PubChem (CID 154100490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).