(4-methylphenyl) 3-(3-methoxyphenyl)propanoate

C17H18O3 — CID 78829897

IUPAC(4-methylphenyl) 3-(3-methoxyphenyl)propanoate
SMILESCOc1cccc(CCC(=O)Oc2ccc(C)cc2)c1
InChIInChI=1S/C17H18O3/c1-13-6-9-15(10-7-13)20-17(18)11-8-14-4-3-5-16(12-14)19-2/h3-7,9-10,12H,8,11H2,1-2H3
InChIKeyFOFWNESMYWYFHS-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.54
Rot. Bonds5

About (4-methylphenyl) 3-(3-methoxyphenyl)propanoate

(4-methylphenyl) 3-(3-methoxyphenyl)propanoate (PubChem CID 78829897) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (4-methylphenyl) 3-(3-methoxyphenyl)propanoate.

Molecular Properties

Compound Name(4-methylphenyl) 3-(3-methoxyphenyl)propanoate
PubChem CID78829897
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(4-methylphenyl) 3-(3-methoxyphenyl)propanoate
SMILESCOc1cccc(CCC(=O)Oc2ccc(C)cc2)c1
InChIInChI=1S/C17H18O3/c1-13-6-9-15(10-7-13)20-17(18)11-8-14-4-3-5-16(12-14)19-2/h3-7,9-10,12H,8,11H2,1-2H3
InChIKeyFOFWNESMYWYFHS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 3-(3-methoxyphenyl)propanoate
CID 14043098
1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one
CID 24725838
bis(4-methylphenyl) butanedioate
CID 14740597
(4-fluorophenyl) 3-(4-methylphenyl)propanoate
CID 19220615
ethane;1-(3-methoxyphenyl)-4-methylpentan-3-one
CID 142910057
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398756
[4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate
CID 19221101
phenyl 3-(3-butoxycarbonyloxyphenyl)propanoate
CID 174801424
CID 70464798
CID 70464798
(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221076
S-ethyl 3-(3-methoxyphenyl)propanethioate
CID 54757271

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 3-(3-methoxyphenyl)propanoate?
The IUPAC name of (4-methylphenyl) 3-(3-methoxyphenyl)propanoate (CID 78829897) is (4-methylphenyl) 3-(3-methoxyphenyl)propanoate.
What is the SMILES notation for (4-methylphenyl) 3-(3-methoxyphenyl)propanoate?
The canonical SMILES for (4-methylphenyl) 3-(3-methoxyphenyl)propanoate is COc1cccc(CCC(=O)Oc2ccc(C)cc2)c1.
What is the InChIKey of (4-methylphenyl) 3-(3-methoxyphenyl)propanoate?
The InChIKey is FOFWNESMYWYFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-13-6-9-15(10-7-13)20-17(18)11-8-14-4-3-5-16(12-14)19-2/h3-7,9-10,12H,8,11H2,1-2H3.
What are the key properties of (4-methylphenyl) 3-(3-methoxyphenyl)propanoate?
(4-methylphenyl) 3-(3-methoxyphenyl)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 (4-methylphenyl) 3-(3-methoxyphenyl)propanoate is sourced from PubChem (CID 78829897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).