(2-formylnaphthalen-1-yl) 2-(2,4-dichlorophenoxy)acetate

C19H12Cl2O4 — CID 23010873

IUPAC(2-formylnaphthalen-1-yl) 2-(2,4-dichlorophenoxy)acetate
SMILESO=Cc1ccc2ccccc2c1OC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H12Cl2O4/c20-14-7-8-17(16(21)9-14)24-11-18(23)25-19-13(10-22)6-5-12-3-1-2-4-15(12)19/h1-10H,11H2
InChIKeyCVFOEMWUEYJLCC-UHFFFAOYSA-N
MW375.21 g/mol
LogP4.94
Rot. Bonds5

About (2-formylnaphthalen-1-yl) 2-(2,4-dichlorophenoxy)acetate

(2-formylnaphthalen-1-yl) 2-(2,4-dichlorophenoxy)acetate (PubChem CID 23010873) has the molecular formula C19H12Cl2O4 and a molecular weight of 375.21 g/mol. Its IUPAC name is (2-formylnaphthalen-1-yl) 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name(2-formylnaphthalen-1-yl) 2-(2,4-dichlorophenoxy)acetate
PubChem CID23010873
Molecular FormulaC19H12Cl2O4
Molecular Weight375.21 g/mol
Exact Mass374.01
IUPAC Name(2-formylnaphthalen-1-yl) 2-(2,4-dichlorophenoxy)acetate
SMILESO=Cc1ccc2ccccc2c1OC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H12Cl2O4/c20-14-7-8-17(16(21)9-14)24-11-18(23)25-19-13(10-22)6-5-12-3-1-2-4-15(12)19/h1-10H,11H2
InChIKeyCVFOEMWUEYJLCC-UHFFFAOYSA-N
XLogP4.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-formylnaphthalen-1-yl) 2-(4-bromo-2-chlorophenoxy)acetate
CID 23011156
naphthalen-1-yl 2-(2-chloro-4-fluorophenoxy)acetate
CID 18226934
ethenyl 2-(2,4-dichlorophenoxy)acetate
CID 11806970
(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate
CID 914130
(2-bromo-4-chlorophenyl) 2-naphthalen-1-yloxyacetate
CID 1299015
(2,4-dichloro-6-formylphenyl) 2-(2-bromo-4-phenylphenoxy)acetate
CID 23012598
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 5191338
tert-butyl 2-(4-chloro-2-formylphenoxy)acetate
CID 51357407
(2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate
CID 57171249
carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate
CID 16657721
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide
CID 4513496
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 2-(2,4-dichlorophenoxy)acetate
CID 110494737

Frequently Asked Questions

What is the IUPAC name of (2-formylnaphthalen-1-yl) 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of (2-formylnaphthalen-1-yl) 2-(2,4-dichlorophenoxy)acetate (CID 23010873) is (2-formylnaphthalen-1-yl) 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for (2-formylnaphthalen-1-yl) 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for (2-formylnaphthalen-1-yl) 2-(2,4-dichlorophenoxy)acetate is O=Cc1ccc2ccccc2c1OC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of (2-formylnaphthalen-1-yl) 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is CVFOEMWUEYJLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2O4/c20-14-7-8-17(16(21)9-14)24-11-18(23)25-19-13(10-22)6-5-12-3-1-2-4-15(12)19/h1-10H,11H2.
What are the key properties of (2-formylnaphthalen-1-yl) 2-(2,4-dichlorophenoxy)acetate?
(2-formylnaphthalen-1-yl) 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 375.21 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formylnaphthalen-1-yl) 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 23010873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).