(2-methoxy-4-methylphenyl) 2-ethylbenzoate

C17H18O3 — CID 176892654

IUPAC(2-methoxy-4-methylphenyl) 2-ethylbenzoate
SMILESCCc1ccccc1C(=O)Oc1ccc(C)cc1OC
InChIInChI=1S/C17H18O3/c1-4-13-7-5-6-8-14(13)17(18)20-15-10-9-12(2)11-16(15)19-3/h5-11H,4H2,1-3H3
InChIKeyLLOMKMMINKSXSH-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.79
Rot. Bonds4

About (2-methoxy-4-methylphenyl) 2-ethylbenzoate

(2-methoxy-4-methylphenyl) 2-ethylbenzoate (PubChem CID 176892654) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2-methoxy-4-methylphenyl) 2-ethylbenzoate.

Molecular Properties

Compound Name(2-methoxy-4-methylphenyl) 2-ethylbenzoate
PubChem CID176892654
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(2-methoxy-4-methylphenyl) 2-ethylbenzoate
SMILESCCc1ccccc1C(=O)Oc1ccc(C)cc1OC
InChIInChI=1S/C17H18O3/c1-4-13-7-5-6-8-14(13)17(18)20-15-10-9-12(2)11-16(15)19-3/h5-11H,4H2,1-3H3
InChIKeyLLOMKMMINKSXSH-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.79
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-methoxyphenyl) 3-ethyl-2-methylbenzoate
CID 118039827
bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate
CID 121297333
1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one
CID 115994697
(2-methoxy-4-methylphenyl) 3-aminopropanoate
CID 94256158
(2-ethylbenzoyl) 2-ethylbenzoate
CID 15761038
N'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
CID 24704473
1-[2-[4-(2-methoxy-4-methylphenoxy)butoxy]phenyl]ethanone
CID 2899242
(4-ethyl-2-methoxyphenyl) 3-(4-methylphenyl)propanoate
CID 176892680
(2-bromo-4-methylphenyl) 2-fluorobenzoate
CID 23011824
(2-methoxy-5-methylphenyl)methyl 2-aminobenzoate
CID 60730510
[4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-methoxybenzoate
CID 3932542
(4-ethyl-2-methoxyphenyl) acetate;propane
CID 160615709

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methylphenyl) 2-ethylbenzoate?
The IUPAC name of (2-methoxy-4-methylphenyl) 2-ethylbenzoate (CID 176892654) is (2-methoxy-4-methylphenyl) 2-ethylbenzoate.
What is the SMILES notation for (2-methoxy-4-methylphenyl) 2-ethylbenzoate?
The canonical SMILES for (2-methoxy-4-methylphenyl) 2-ethylbenzoate is CCc1ccccc1C(=O)Oc1ccc(C)cc1OC.
What is the InChIKey of (2-methoxy-4-methylphenyl) 2-ethylbenzoate?
The InChIKey is LLOMKMMINKSXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-4-13-7-5-6-8-14(13)17(18)20-15-10-9-12(2)11-16(15)19-3/h5-11H,4H2,1-3H3.
What are the key properties of (2-methoxy-4-methylphenyl) 2-ethylbenzoate?
(2-methoxy-4-methylphenyl) 2-ethylbenzoate has a molecular weight of 270.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methylphenyl) 2-ethylbenzoate is sourced from PubChem (CID 176892654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).