(4-ethyl-2-methoxyphenyl) 3-(4-methylphenyl)propanoate

C19H22O3 — CID 176892680

IUPAC(4-ethyl-2-methoxyphenyl) 3-(4-methylphenyl)propanoate
SMILESCCc1ccc(OC(=O)CCc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C19H22O3/c1-4-15-9-11-17(18(13-15)21-3)22-19(20)12-10-16-7-5-14(2)6-8-16/h5-9,11,13H,4,10,12H2,1-3H3
InChIKeyYLZZUZXOTUPLCC-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.10
Rot. Bonds6

About (4-ethyl-2-methoxyphenyl) 3-(4-methylphenyl)propanoate

(4-ethyl-2-methoxyphenyl) 3-(4-methylphenyl)propanoate (PubChem CID 176892680) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is (4-ethyl-2-methoxyphenyl) 3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Name(4-ethyl-2-methoxyphenyl) 3-(4-methylphenyl)propanoate
PubChem CID176892680
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name(4-ethyl-2-methoxyphenyl) 3-(4-methylphenyl)propanoate
SMILESCCc1ccc(OC(=O)CCc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C19H22O3/c1-4-15-9-11-17(18(13-15)21-3)22-19(20)12-10-16-7-5-14(2)6-8-16/h5-9,11,13H,4,10,12H2,1-3H3
InChIKeyYLZZUZXOTUPLCC-UHFFFAOYSA-N
XLogP4.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.10
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

(4-cyano-2-methoxyphenyl) 3-(4-methylphenyl)propanoate
CID 51277764
[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 3-(4-methylphenyl)propanoate
CID 19220605
ethyl (E)-2-cyano-3-[3-methoxy-4-[3-(4-methylphenyl)propanoyloxy]phenyl]prop-2-enoate
CID 19220606
(4-ethyl-2-methoxyphenyl) acetate;propane
CID 160615709
(5-butyl-2-methoxyphenyl) 3-phenylpropanoate
CID 69351156
(4-ethyl-2-propanoyloxyphenyl) propanoate
CID 90024003
(2-methoxy-4-methylphenyl) 3-aminopropanoate
CID 94256158
[4-[(E)-2-cyano-2-(4-methoxyphenyl)ethenyl]-2-methoxyphenyl] 3-(4-methylphenyl)propanoate
CID 39114719
(4-ethyl-2-nonanoyloxyphenyl) nonanoate
CID 140675670
(4-acetyl-2-methoxyphenyl) 3-[4-(dimethylamino)phenyl]propanoate
CID 24555284
(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221076
methyl 3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propanoate
CID 91743844

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-methoxyphenyl) 3-(4-methylphenyl)propanoate?
The IUPAC name of (4-ethyl-2-methoxyphenyl) 3-(4-methylphenyl)propanoate (CID 176892680) is (4-ethyl-2-methoxyphenyl) 3-(4-methylphenyl)propanoate.
What is the SMILES notation for (4-ethyl-2-methoxyphenyl) 3-(4-methylphenyl)propanoate?
The canonical SMILES for (4-ethyl-2-methoxyphenyl) 3-(4-methylphenyl)propanoate is CCc1ccc(OC(=O)CCc2ccc(C)cc2)c(OC)c1.
What is the InChIKey of (4-ethyl-2-methoxyphenyl) 3-(4-methylphenyl)propanoate?
The InChIKey is YLZZUZXOTUPLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-4-15-9-11-17(18(13-15)21-3)22-19(20)12-10-16-7-5-14(2)6-8-16/h5-9,11,13H,4,10,12H2,1-3H3.
What are the key properties of (4-ethyl-2-methoxyphenyl) 3-(4-methylphenyl)propanoate?
(4-ethyl-2-methoxyphenyl) 3-(4-methylphenyl)propanoate has a molecular weight of 298.38 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-methoxyphenyl) 3-(4-methylphenyl)propanoate is sourced from PubChem (CID 176892680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).