(5-ethyl-2-methylphenyl) 4-ethoxybenzoate

C18H20O3 — CID 836922

IUPAC(5-ethyl-2-methylphenyl) 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2cc(CC)ccc2C)cc1
InChIInChI=1S/C18H20O3/c1-4-14-7-6-13(3)17(12-14)21-18(19)15-8-10-16(11-9-15)20-5-2/h6-12H,4-5H2,1-3H3
InChIKeyMUKJIXUMYKYNSC-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.18
Rot. Bonds5

About (5-ethyl-2-methylphenyl) 4-ethoxybenzoate

(5-ethyl-2-methylphenyl) 4-ethoxybenzoate (PubChem CID 836922) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (5-ethyl-2-methylphenyl) 4-ethoxybenzoate.

Molecular Properties

Compound Name(5-ethyl-2-methylphenyl) 4-ethoxybenzoate
PubChem CID836922
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(5-ethyl-2-methylphenyl) 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2cc(CC)ccc2C)cc1
InChIInChI=1S/C18H20O3/c1-4-14-7-6-13(3)17(12-14)21-18(19)15-8-10-16(11-9-15)20-5-2/h6-12H,4-5H2,1-3H3
InChIKeyMUKJIXUMYKYNSC-UHFFFAOYSA-N
XLogP4.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.18
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

[2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate
CID 89316191
(2-ethoxyphenyl) 4-ethoxybenzoate
CID 176892652
(2-bromo-4-methylphenyl) 4-ethoxybenzoate
CID 23011316
[4-[3-[4-(4-ethoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-ethoxybenzoate
CID 143295267
(4-ethoxyphenyl) 4-carboxyoxy-3-methylbenzoate
CID 71651123
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione
CID 18428768
(4-ethoxyphenyl) 4-carboxyoxybenzoate
CID 68508169
(4-methoxy-3-methylphenyl) 4-ethylbenzoate
CID 145123252
(4-ethoxyphenyl) 4-(2-methylbutyl)benzoate
CID 91726746
(2-phenylphenyl) 4-ethoxybenzoate
CID 23011325
(4-methyl-2-oxochromen-7-yl) 4-ethoxybenzoate
CID 836179

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-methylphenyl) 4-ethoxybenzoate?
The IUPAC name of (5-ethyl-2-methylphenyl) 4-ethoxybenzoate (CID 836922) is (5-ethyl-2-methylphenyl) 4-ethoxybenzoate.
What is the SMILES notation for (5-ethyl-2-methylphenyl) 4-ethoxybenzoate?
The canonical SMILES for (5-ethyl-2-methylphenyl) 4-ethoxybenzoate is CCOc1ccc(C(=O)Oc2cc(CC)ccc2C)cc1.
What is the InChIKey of (5-ethyl-2-methylphenyl) 4-ethoxybenzoate?
The InChIKey is MUKJIXUMYKYNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-4-14-7-6-13(3)17(12-14)21-18(19)15-8-10-16(11-9-15)20-5-2/h6-12H,4-5H2,1-3H3.
What are the key properties of (5-ethyl-2-methylphenyl) 4-ethoxybenzoate?
(5-ethyl-2-methylphenyl) 4-ethoxybenzoate has a molecular weight of 284.36 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-methylphenyl) 4-ethoxybenzoate is sourced from PubChem (CID 836922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).