methyl 2-(2-phenylmethoxyphenyl)propanoate

C17H18O3 — CID 54327103

IUPACmethyl 2-(2-phenylmethoxyphenyl)propanoate
SMILESCOC(=O)C(C)c1ccccc1OCc1ccccc1
InChIInChI=1S/C17H18O3/c1-13(17(18)19-2)15-10-6-7-11-16(15)20-12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeySVSSLQSWVMIPDT-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.54
Rot. Bonds5

About methyl 2-(2-phenylmethoxyphenyl)propanoate

methyl 2-(2-phenylmethoxyphenyl)propanoate (PubChem CID 54327103) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 2-(2-phenylmethoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-phenylmethoxyphenyl)propanoate
PubChem CID54327103
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namemethyl 2-(2-phenylmethoxyphenyl)propanoate
SMILESCOC(=O)C(C)c1ccccc1OCc1ccccc1
InChIInChI=1S/C17H18O3/c1-13(17(18)19-2)15-10-6-7-11-16(15)20-12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeySVSSLQSWVMIPDT-UHFFFAOYSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
methyl 3-hydroxy-2-(2-phenylmethoxyphenyl)butanoate
CID 11990868
methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
methyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate
CID 171251115
methyl 2-(5-phenylmethoxy-1H-pyrazol-4-yl)propanoate
CID 69427072
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171214311
(4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one
CID 59906121
(1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol
CID 171265324
propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate
CID 54420934
methyl (2S)-2-amino-2-[2-[(3-chlorophenyl)methoxy]phenyl]acetate
CID 125466806
N-(2-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 17093436

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-phenylmethoxyphenyl)propanoate?
The IUPAC name of methyl 2-(2-phenylmethoxyphenyl)propanoate (CID 54327103) is methyl 2-(2-phenylmethoxyphenyl)propanoate.
What is the SMILES notation for methyl 2-(2-phenylmethoxyphenyl)propanoate?
The canonical SMILES for methyl 2-(2-phenylmethoxyphenyl)propanoate is COC(=O)C(C)c1ccccc1OCc1ccccc1.
What is the InChIKey of methyl 2-(2-phenylmethoxyphenyl)propanoate?
The InChIKey is SVSSLQSWVMIPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-13(17(18)19-2)15-10-6-7-11-16(15)20-12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3.
What are the key properties of methyl 2-(2-phenylmethoxyphenyl)propanoate?
methyl 2-(2-phenylmethoxyphenyl)propanoate has a molecular weight of 270.33 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-phenylmethoxyphenyl)propanoate is sourced from PubChem (CID 54327103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).