methyl 2-(3-methoxyphenyl)-3-phenylpropanoate

C17H18O3 — CID 21257567

IUPACmethyl 2-(3-methoxyphenyl)-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C17H18O3/c1-19-15-10-6-9-14(12-15)16(17(18)20-2)11-13-7-4-3-5-8-13/h3-10,12,16H,11H2,1-2H3
InChIKeyRQPCGZOIAYITGA-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.19
Rot. Bonds5

About methyl 2-(3-methoxyphenyl)-3-phenylpropanoate

methyl 2-(3-methoxyphenyl)-3-phenylpropanoate (PubChem CID 21257567) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 2-(3-methoxyphenyl)-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-(3-methoxyphenyl)-3-phenylpropanoate
PubChem CID21257567
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namemethyl 2-(3-methoxyphenyl)-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C17H18O3/c1-19-15-10-6-9-14(12-15)16(17(18)20-2)11-13-7-4-3-5-8-13/h3-10,12,16H,11H2,1-2H3
InChIKeyRQPCGZOIAYITGA-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
methyl 3-methoxy-2-(3-methoxyphenyl)propanoate
CID 117243532
N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)-3-phenylpropanamide
CID 110408193
2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 82095275
2-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 82095274
2-(benzylamino)-2-(3-methoxyphenyl)acetamide
CID 10849658
N-[(2S)-2-(3-methoxyphenyl)-3-phenylpropyl]benzamide
CID 11110747
4-amino-2-(3-methoxyphenyl)-4-oxobutanoic acid
CID 141007256
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methoxyphenyl)-3-phenylpropan-1-one
CID 110413029
2-(3-methoxyphenyl)-3-sulfanylpropanoic acid
CID 117243551
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methoxyphenyl)-3-phenylpropanoate?
The IUPAC name of methyl 2-(3-methoxyphenyl)-3-phenylpropanoate (CID 21257567) is methyl 2-(3-methoxyphenyl)-3-phenylpropanoate.
What is the SMILES notation for methyl 2-(3-methoxyphenyl)-3-phenylpropanoate?
The canonical SMILES for methyl 2-(3-methoxyphenyl)-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)c1cccc(OC)c1.
What is the InChIKey of methyl 2-(3-methoxyphenyl)-3-phenylpropanoate?
The InChIKey is RQPCGZOIAYITGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-19-15-10-6-9-14(12-15)16(17(18)20-2)11-13-7-4-3-5-8-13/h3-10,12,16H,11H2,1-2H3.
What are the key properties of methyl 2-(3-methoxyphenyl)-3-phenylpropanoate?
methyl 2-(3-methoxyphenyl)-3-phenylpropanoate has a molecular weight of 270.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methoxyphenyl)-3-phenylpropanoate is sourced from PubChem (CID 21257567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).