[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl] carbonochloridate

C23H14Cl2O4 — CID 143840570

IUPAC[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl] carbonochloridate
SMILESO=C(Cl)COc1ccc2ccccc2c1-c1c(OC(=O)Cl)ccc2ccccc12
InChIInChI=1S/C23H14Cl2O4/c24-20(26)13-28-18-11-9-14-5-1-3-7-16(14)21(18)22-17-8-4-2-6-15(17)10-12-19(22)29-23(25)27/h1-12H,13H2
InChIKeyCAMGMAVPXUBNGH-UHFFFAOYSA-N
MW425.27 g/mol
LogP6.54
Rot. Bonds5

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

[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl] carbonochloridate (PubChem CID 143840570) has the molecular formula C23H14Cl2O4 and a molecular weight of 425.27 g/mol. Its IUPAC name is [1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl] carbonochloridate.

Molecular Properties

Compound Name[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl] carbonochloridate
PubChem CID143840570
Molecular FormulaC23H14Cl2O4
Molecular Weight425.27 g/mol
Exact Mass424.03
IUPAC Name[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl] carbonochloridate
SMILESO=C(Cl)COc1ccc2ccccc2c1-c1c(OC(=O)Cl)ccc2ccccc12
InChIInChI=1S/C23H14Cl2O4/c24-20(26)13-28-18-11-9-14-5-1-3-7-16(14)21(18)22-17-8-4-2-6-15(17)10-12-19(22)29-23(25)27/h1-12H,13H2
InChIKeyCAMGMAVPXUBNGH-UHFFFAOYSA-N
XLogP6.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.27
LogP ≤ 56.54
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

2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride
CID 25112232
CID 58090275
CID 58090275
2-[1-[2-(carboxymethoxy)phenanthren-1-yl]phenanthren-2-yl]oxyacetic acid
CID 176819783
[1-(2-butanoyloxynaphthalen-1-yl)naphthalen-2-yl] butanoate
CID 11004443
[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857
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
[1-[2-(dimethylcarbamothioyloxy)naphthalen-1-yl]naphthalen-2-yl] N,N-dimethylcarbamate
CID 15321081
methyl 4-[[1-[2-[(4-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-1-carboxylate
CID 177253515
methyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate
CID 177253516
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

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl] carbonochloridate?
The IUPAC name of [1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl] carbonochloridate (CID 143840570) is [1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl] carbonochloridate.
What is the SMILES notation for [1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl] carbonochloridate?
The canonical SMILES for [1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl] carbonochloridate is O=C(Cl)COc1ccc2ccccc2c1-c1c(OC(=O)Cl)ccc2ccccc12.
What is the InChIKey of [1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl] carbonochloridate?
The InChIKey is CAMGMAVPXUBNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2O4/c24-20(26)13-28-18-11-9-14-5-1-3-7-16(14)21(18)22-17-8-4-2-6-15(17)10-12-19(22)29-23(25)27/h1-12H,13H2.
What are the key properties of [1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl] carbonochloridate?
[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl] carbonochloridate has a molecular weight of 425.27 g/mol, XLogP of 6.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl] carbonochloridate is sourced from PubChem (CID 143840570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).