(2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate

C19H22O4 — CID 176892639

IUPAC(2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate
SMILESCCOc1cc(CC)ccc1OC(=O)c1ccccc1OCC
InChIInChI=1S/C19H22O4/c1-4-14-11-12-17(18(13-14)22-6-3)23-19(20)15-9-7-8-10-16(15)21-5-2/h7-13H,4-6H2,1-3H3
InChIKeyWROYYWZWIVTBBT-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.27
Rot. Bonds7

About (2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate

(2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate (PubChem CID 176892639) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate.

Molecular Properties

Compound Name(2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate
PubChem CID176892639
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name(2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate
SMILESCCOc1cc(CC)ccc1OC(=O)c1ccccc1OCC
InChIInChI=1S/C19H22O4/c1-4-14-11-12-17(18(13-14)22-6-3)23-19(20)15-9-7-8-10-16(15)21-5-2/h7-13H,4-6H2,1-3H3
InChIKeyWROYYWZWIVTBBT-UHFFFAOYSA-N
XLogP4.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.27
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-ethoxy-4-formylphenyl) 2-ethoxybenzoate
CID 23011379
(2-methoxy-4-prop-2-enylphenyl) 2-ethoxybenzoate
CID 54364867
2-ethoxybenzenecarboperoxoic acid
CID 22314606
ethyl 5-bromo-2-(2-ethoxybenzoyl)oxybenzoate
CID 17343270
3-(2-ethoxy-5-ethylphenyl)-1-(2-ethoxyphenyl)propan-1-one
CID 70018291
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7758203
2-ethoxybenzoyl bromide
CID 19426336
[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-ethoxyphenyl] 2-ethoxybenzoate
CID 19176436
(3,5-dichloro-4-methylphenyl) 2-ethoxybenzoate
CID 23011363
[4-(diethylamino)-2-ethoxyphenyl] 2-[4-(diethylamino)-2-ethoxyphenyl]benzoate
CID 129099505
ethane;(2-ethoxyphenyl) 2-butan-2-ylbenzoate
CID 118039954
(2-formyl-4-nitrophenyl) 2-ethoxybenzoate
CID 23011376

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate?
The IUPAC name of (2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate (CID 176892639) is (2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate.
What is the SMILES notation for (2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate?
The canonical SMILES for (2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate is CCOc1cc(CC)ccc1OC(=O)c1ccccc1OCC.
What is the InChIKey of (2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate?
The InChIKey is WROYYWZWIVTBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-4-14-11-12-17(18(13-14)22-6-3)23-19(20)15-9-7-8-10-16(15)21-5-2/h7-13H,4-6H2,1-3H3.
What are the key properties of (2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate?
(2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate has a molecular weight of 314.38 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate is sourced from PubChem (CID 176892639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).