2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride

C24H16Cl2O4 — CID 25112232

IUPAC2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride
SMILESO=C(Cl)COc1ccc2ccccc2c1-c1c(OCC(=O)Cl)ccc2ccccc12
InChIInChI=1S/C24H16Cl2O4/c25-21(27)13-29-19-11-9-15-5-1-3-7-17(15)23(19)24-18-8-4-2-6-16(18)10-12-20(24)30-14-22(26)28/h1-12H,13-14H2
InChIKeyMENIEVQSYCIGNY-UHFFFAOYSA-N
MW439.29 g/mol
LogP5.95
Rot. Bonds7

About 2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride

2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride (PubChem CID 25112232) has the molecular formula C24H16Cl2O4 and a molecular weight of 439.29 g/mol. Its IUPAC name is 2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride.

Molecular Properties

Compound Name2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride
PubChem CID25112232
Molecular FormulaC24H16Cl2O4
Molecular Weight439.29 g/mol
Exact Mass438.04
IUPAC Name2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride
SMILESO=C(Cl)COc1ccc2ccccc2c1-c1c(OCC(=O)Cl)ccc2ccccc12
InChIInChI=1S/C24H16Cl2O4/c25-21(27)13-29-19-11-9-15-5-1-3-7-17(15)23(19)24-18-8-4-2-6-16(18)10-12-20(24)30-14-22(26)28/h1-12H,13-14H2
InChIKeyMENIEVQSYCIGNY-UHFFFAOYSA-N
XLogP5.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.29
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl] carbonochloridate
CID 143840570
2-[1-[2-(carboxymethoxy)phenanthren-1-yl]phenanthren-2-yl]oxyacetic acid
CID 176819783
2-[3-bromo-1-[3-bromo-2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride
CID 46856074
2-[1-[2-[[4-[[1-[2-(hydroxymethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetic acid
CID 169262013
CID 58090275
CID 58090275
ethenyl 2-[1-[2-(2-ethenoxy-2-oxoethoxy)phenanthren-1-yl]phenanthren-2-yl]oxyacetate
CID 176819843
2-[[1-[2-[(1-carboxynaphthalen-2-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-1-carboxylic acid
CID 171648145
bis(carbonochloridic acid);4-[1-[2-(4-carbonochloridoylphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzoyl chloride
CID 23064662
prop-2-enyl 2-[1-[2-(2-oxo-2-prop-2-enoxyethoxy)phenanthren-1-yl]phenanthren-2-yl]oxyacetate
CID 176819786
1-[2-[4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]naphthalen-2-ol
CID 12008941
2-[1-[2-(2-methoxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol
CID 144623852
2-[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol;bis(2-methylprop-2-enoic acid)
CID 86743802

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride?
The IUPAC name of 2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride (CID 25112232) is 2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride.
What is the SMILES notation for 2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride?
The canonical SMILES for 2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride is O=C(Cl)COc1ccc2ccccc2c1-c1c(OCC(=O)Cl)ccc2ccccc12.
What is the InChIKey of 2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride?
The InChIKey is MENIEVQSYCIGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2O4/c25-21(27)13-29-19-11-9-15-5-1-3-7-17(15)23(19)24-18-8-4-2-6-16(18)10-12-20(24)30-14-22(26)28/h1-12H,13-14H2.
What are the key properties of 2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride?
2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride has a molecular weight of 439.29 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride is sourced from PubChem (CID 25112232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).