(3,5-dichloro-4-methylphenyl) 2-ethoxybenzoate

C16H14Cl2O3 — CID 23011363

IUPAC(3,5-dichloro-4-methylphenyl) 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)Oc1cc(Cl)c(C)c(Cl)c1
InChIInChI=1S/C16H14Cl2O3/c1-3-20-15-7-5-4-6-12(15)16(19)21-11-8-13(17)10(2)14(18)9-11/h4-9H,3H2,1-2H3
InChIKeyVPJAYNSQNWKOJW-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.92
Rot. Bonds4

About (3,5-dichloro-4-methylphenyl) 2-ethoxybenzoate

(3,5-dichloro-4-methylphenyl) 2-ethoxybenzoate (PubChem CID 23011363) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is (3,5-dichloro-4-methylphenyl) 2-ethoxybenzoate.

Molecular Properties

Compound Name(3,5-dichloro-4-methylphenyl) 2-ethoxybenzoate
PubChem CID23011363
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Name(3,5-dichloro-4-methylphenyl) 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)Oc1cc(Cl)c(C)c(Cl)c1
InChIInChI=1S/C16H14Cl2O3/c1-3-20-15-7-5-4-6-12(15)16(19)21-11-8-13(17)10(2)14(18)9-11/h4-9H,3H2,1-2H3
InChIKeyVPJAYNSQNWKOJW-UHFFFAOYSA-N
XLogP4.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.92
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-ethoxybenzenecarboperoxoic acid
CID 22314606
(4-benzoylphenyl) 2-ethoxybenzoate
CID 1234623
(2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate
CID 176892639
2,3-dihydro-1,4-benzodioxin-6-yl 2-ethoxybenzoate
CID 86912466
ethyl 5-bromo-2-(2-ethoxybenzoyl)oxybenzoate
CID 17343270
(2-ethoxy-4-formylphenyl) 2-ethoxybenzoate
CID 23011379
[4-acetyl-3,5-bis[(2-chlorobenzoyl)oxy]phenyl] 2-chlorobenzoate
CID 5314949
1-O-propyl 2-O-(3,4,5-trichlorophenyl) benzene-1,2-dicarboxylate
CID 91720626
N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide
CID 723566
[3-(2-phenylethoxycarbonyl)phenyl] 2-ethoxybenzoate
CID 17162277
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 7758284
2-ethoxybenzoic acid;zinc
CID 172723273

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-methylphenyl) 2-ethoxybenzoate?
The IUPAC name of (3,5-dichloro-4-methylphenyl) 2-ethoxybenzoate (CID 23011363) is (3,5-dichloro-4-methylphenyl) 2-ethoxybenzoate.
What is the SMILES notation for (3,5-dichloro-4-methylphenyl) 2-ethoxybenzoate?
The canonical SMILES for (3,5-dichloro-4-methylphenyl) 2-ethoxybenzoate is CCOc1ccccc1C(=O)Oc1cc(Cl)c(C)c(Cl)c1.
What is the InChIKey of (3,5-dichloro-4-methylphenyl) 2-ethoxybenzoate?
The InChIKey is VPJAYNSQNWKOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c1-3-20-15-7-5-4-6-12(15)16(19)21-11-8-13(17)10(2)14(18)9-11/h4-9H,3H2,1-2H3.
What are the key properties of (3,5-dichloro-4-methylphenyl) 2-ethoxybenzoate?
(3,5-dichloro-4-methylphenyl) 2-ethoxybenzoate has a molecular weight of 325.19 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-4-methylphenyl) 2-ethoxybenzoate is sourced from PubChem (CID 23011363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).