(2-methoxyphenyl) 3-ethyl-2-methylbenzoate

C17H18O3 — CID 118039827

IUPAC(2-methoxyphenyl) 3-ethyl-2-methylbenzoate
SMILESCCc1cccc(C(=O)Oc2ccccc2OC)c1C
InChIInChI=1S/C17H18O3/c1-4-13-8-7-9-14(12(13)2)17(18)20-16-11-6-5-10-15(16)19-3/h5-11H,4H2,1-3H3
InChIKeyLWZCCIWLFSDEBH-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.79
Rot. Bonds4

About (2-methoxyphenyl) 3-ethyl-2-methylbenzoate

(2-methoxyphenyl) 3-ethyl-2-methylbenzoate (PubChem CID 118039827) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2-methoxyphenyl) 3-ethyl-2-methylbenzoate.

Molecular Properties

Compound Name(2-methoxyphenyl) 3-ethyl-2-methylbenzoate
PubChem CID118039827
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(2-methoxyphenyl) 3-ethyl-2-methylbenzoate
SMILESCCc1cccc(C(=O)Oc2ccccc2OC)c1C
InChIInChI=1S/C17H18O3/c1-4-13-8-7-9-14(12(13)2)17(18)20-16-11-6-5-10-15(16)19-3/h5-11H,4H2,1-3H3
InChIKeyLWZCCIWLFSDEBH-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-methoxy-4-methylphenyl) 2-ethylbenzoate
CID 176892654
(2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate
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[5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate
CID 11841339
3-methoxy-2-methylbenzenecarboperoxoic acid
CID 174349354
methyl 3-methoxy-2-methylbenzoate
CID 12527049
(2-methoxyphenyl) 3-methyl-2-nitrobenzoate
CID 8778392
ethane;(2-methoxyphenyl) 2-tert-butylbenzoate
CID 118040465
1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate
CID 91719915
(2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate
CID 24505759
2-(3-methoxy-2-methylphenyl)acetamide
CID 141044512
(2-fluorophenyl) 2-methoxybenzoate
CID 91714946
2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate
CID 6424506

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 3-ethyl-2-methylbenzoate?
The IUPAC name of (2-methoxyphenyl) 3-ethyl-2-methylbenzoate (CID 118039827) is (2-methoxyphenyl) 3-ethyl-2-methylbenzoate.
What is the SMILES notation for (2-methoxyphenyl) 3-ethyl-2-methylbenzoate?
The canonical SMILES for (2-methoxyphenyl) 3-ethyl-2-methylbenzoate is CCc1cccc(C(=O)Oc2ccccc2OC)c1C.
What is the InChIKey of (2-methoxyphenyl) 3-ethyl-2-methylbenzoate?
The InChIKey is LWZCCIWLFSDEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-4-13-8-7-9-14(12(13)2)17(18)20-16-11-6-5-10-15(16)19-3/h5-11H,4H2,1-3H3.
What are the key properties of (2-methoxyphenyl) 3-ethyl-2-methylbenzoate?
(2-methoxyphenyl) 3-ethyl-2-methylbenzoate 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-methoxyphenyl) 3-ethyl-2-methylbenzoate is sourced from PubChem (CID 118039827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).