methyl 2-(4-phenylmethoxyphenoxy)propanoate

C17H18O4 — CID 13093988

IUPACmethyl 2-(4-phenylmethoxyphenoxy)propanoate
SMILESCOC(=O)C(C)Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H18O4/c1-13(17(18)19-2)21-16-10-8-15(9-11-16)20-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyXOBSHFQRHHTQQM-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.21
Rot. Bonds6

About methyl 2-(4-phenylmethoxyphenoxy)propanoate

methyl 2-(4-phenylmethoxyphenoxy)propanoate (PubChem CID 13093988) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 2-(4-phenylmethoxyphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-phenylmethoxyphenoxy)propanoate
PubChem CID13093988
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Namemethyl 2-(4-phenylmethoxyphenoxy)propanoate
SMILESCOC(=O)C(C)Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H18O4/c1-13(17(18)19-2)21-16-10-8-15(9-11-16)20-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyXOBSHFQRHHTQQM-UHFFFAOYSA-N
XLogP3.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295
methyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate
CID 54068292
[(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 14985162
methyl (2R)-2-(4-phenylphenoxy)propanoate
CID 7085245
methyl 2-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 10493427
methyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate
CID 2792535
4-[[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]amino]benzamide
CID 2557704
(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 9233741
methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate
CID 103337931
methyl (2S)-2-(hydroxyamino)-3-(4-phenylmethoxyphenyl)propanoate
CID 10968626
methyl 3-hydroxy-4-methyl-2-[1-(4-phenylmethoxyphenyl)ethyl]pentanoate
CID 67666709

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-phenylmethoxyphenoxy)propanoate?
The IUPAC name of methyl 2-(4-phenylmethoxyphenoxy)propanoate (CID 13093988) is methyl 2-(4-phenylmethoxyphenoxy)propanoate.
What is the SMILES notation for methyl 2-(4-phenylmethoxyphenoxy)propanoate?
The canonical SMILES for methyl 2-(4-phenylmethoxyphenoxy)propanoate is COC(=O)C(C)Oc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of methyl 2-(4-phenylmethoxyphenoxy)propanoate?
The InChIKey is XOBSHFQRHHTQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-13(17(18)19-2)21-16-10-8-15(9-11-16)20-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3.
What are the key properties of methyl 2-(4-phenylmethoxyphenoxy)propanoate?
methyl 2-(4-phenylmethoxyphenoxy)propanoate has a molecular weight of 286.33 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-phenylmethoxyphenoxy)propanoate is sourced from PubChem (CID 13093988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).