(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate

C18H20O3 — CID 19221076

IUPAC(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate
SMILESCCc1ccc(OC(=O)CCc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20O3/c1-3-14-4-11-17(12-5-14)21-18(19)13-8-15-6-9-16(20-2)10-7-15/h4-7,9-12H,3,8,13H2,1-2H3
InChIKeyHGPREJCNIJVZSP-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.80
Rot. Bonds6

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

(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate (PubChem CID 19221076) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-ethylphenyl) 3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate
PubChem CID19221076
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate
SMILESCCc1ccc(OC(=O)CCc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20O3/c1-3-14-4-11-17(12-5-14)21-18(19)13-8-15-6-9-16(20-2)10-7-15/h4-7,9-12H,3,8,13H2,1-2H3
InChIKeyHGPREJCNIJVZSP-UHFFFAOYSA-N
XLogP3.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.80
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-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221107
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
(2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221084
(2-methyl-6-oxopyran-4-yl) 3-(4-methoxyphenyl)propanoate
CID 67979101
(4-chloro-3-methylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221088
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
bis(4-methoxyphenyl) octanedioate
CID 89115465
formyl 3-(4-methoxyphenyl)propanoate
CID 174628635
tert-butyl 3-(4-methoxyphenyl)propanoate
CID 63896650
methyl 4-[3-(4-chlorophenyl)propanoyloxy]benzoate
CID 19221018
[4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate
CID 19221101
[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
CID 145141089

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl) 3-(4-methoxyphenyl)propanoate?
The IUPAC name of (4-ethylphenyl) 3-(4-methoxyphenyl)propanoate (CID 19221076) is (4-ethylphenyl) 3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for (4-ethylphenyl) 3-(4-methoxyphenyl)propanoate?
The canonical SMILES for (4-ethylphenyl) 3-(4-methoxyphenyl)propanoate is CCc1ccc(OC(=O)CCc2ccc(OC)cc2)cc1.
What is the InChIKey of (4-ethylphenyl) 3-(4-methoxyphenyl)propanoate?
The InChIKey is HGPREJCNIJVZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-3-14-4-11-17(12-5-14)21-18(19)13-8-15-6-9-16(20-2)10-7-15/h4-7,9-12H,3,8,13H2,1-2H3.
What are the key properties of (4-ethylphenyl) 3-(4-methoxyphenyl)propanoate?
(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate has a molecular weight of 284.36 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl) 3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 19221076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).