(2-ethoxyphenyl) 3-methoxybenzoate

C16H16O4 — CID 19184767

IUPAC(2-ethoxyphenyl) 3-methoxybenzoate
SMILESCCOc1ccccc1OC(=O)c1cccc(OC)c1
InChIInChI=1S/C16H16O4/c1-3-19-14-9-4-5-10-15(14)20-16(17)12-7-6-8-13(11-12)18-2/h4-11H,3H2,1-2H3
InChIKeyXYYULLYYUMNDRT-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.31
Rot. Bonds5

About (2-ethoxyphenyl) 3-methoxybenzoate

(2-ethoxyphenyl) 3-methoxybenzoate (PubChem CID 19184767) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2-ethoxyphenyl) 3-methoxybenzoate.

Molecular Properties

Compound Name(2-ethoxyphenyl) 3-methoxybenzoate
PubChem CID19184767
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(2-ethoxyphenyl) 3-methoxybenzoate
SMILESCCOc1ccccc1OC(=O)c1cccc(OC)c1
InChIInChI=1S/C16H16O4/c1-3-19-14-9-4-5-10-15(14)20-16(17)12-7-6-8-13(11-12)18-2/h4-11H,3H2,1-2H3
InChIKeyXYYULLYYUMNDRT-UHFFFAOYSA-N
XLogP3.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-(2-oxopropoxy)phenyl] 3-methoxybenzoate
CID 51055617
(2-ethoxyphenyl)-(3-methoxyphenyl)methanone
CID 62802553
(2-ethoxyphenyl) 4-ethoxybenzoate
CID 176892652
(4-acetyl-2-methoxyphenyl) 3-methoxybenzoate
CID 8868766
(2-ethoxyphenyl) 3,4-dichlorobenzoate
CID 733877
(Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83955905
(3-methoxycarbonylphenyl) 3-ethoxybenzoate
CID 4981603
(2-methylphenyl) 3-butoxybenzoate
CID 23012315
methyl 3-ethoxybenzoate
CID 3267781
[2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate
CID 837711
2-ethoxy-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 116709839
(2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate
CID 24505759

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl) 3-methoxybenzoate?
The IUPAC name of (2-ethoxyphenyl) 3-methoxybenzoate (CID 19184767) is (2-ethoxyphenyl) 3-methoxybenzoate.
What is the SMILES notation for (2-ethoxyphenyl) 3-methoxybenzoate?
The canonical SMILES for (2-ethoxyphenyl) 3-methoxybenzoate is CCOc1ccccc1OC(=O)c1cccc(OC)c1.
What is the InChIKey of (2-ethoxyphenyl) 3-methoxybenzoate?
The InChIKey is XYYULLYYUMNDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-3-19-14-9-4-5-10-15(14)20-16(17)12-7-6-8-13(11-12)18-2/h4-11H,3H2,1-2H3.
What are the key properties of (2-ethoxyphenyl) 3-methoxybenzoate?
(2-ethoxyphenyl) 3-methoxybenzoate has a molecular weight of 272.30 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl) 3-methoxybenzoate is sourced from PubChem (CID 19184767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).