(2-naphthalen-2-yl-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate

C17H14Cl2O3 — CID 17464453

IUPAC(2-naphthalen-2-yl-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate
SMILESCC1(C(=O)OCC(=O)c2ccc3ccccc3c2)CC1(Cl)Cl
InChIInChI=1S/C17H14Cl2O3/c1-16(10-17(16,18)19)15(21)22-9-14(20)13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9-10H2,1H3
InChIKeyQAGUSRBIQUJFMG-UHFFFAOYSA-N
MW337.20 g/mol
LogP4.15
Rot. Bonds4

About (2-naphthalen-2-yl-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate

(2-naphthalen-2-yl-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate (PubChem CID 17464453) has the molecular formula C17H14Cl2O3 and a molecular weight of 337.20 g/mol. Its IUPAC name is (2-naphthalen-2-yl-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name(2-naphthalen-2-yl-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate
PubChem CID17464453
Molecular FormulaC17H14Cl2O3
Molecular Weight337.20 g/mol
Exact Mass336.03
IUPAC Name(2-naphthalen-2-yl-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate
SMILESCC1(C(=O)OCC(=O)c2ccc3ccccc3c2)CC1(Cl)Cl
InChIInChI=1S/C17H14Cl2O3/c1-16(10-17(16,18)19)15(21)22-9-14(20)13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9-10H2,1H3
InChIKeyQAGUSRBIQUJFMG-UHFFFAOYSA-N
XLogP4.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2379090
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 55319272
(2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate
CID 57379444
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
(2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate
CID 888123
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454590
bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium
CID 174874865
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2425213
(2-naphthalen-2-yl-2-oxoethyl) 3,4,5-trimethoxybenzoate
CID 40612973
(2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate
CID 7291387
[2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate
CID 7698509

Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate (CID 17464453) is (2-naphthalen-2-yl-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate.
What is the SMILES notation for (2-naphthalen-2-yl-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The canonical SMILES for (2-naphthalen-2-yl-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate is CC1(C(=O)OCC(=O)c2ccc3ccccc3c2)CC1(Cl)Cl.
What is the InChIKey of (2-naphthalen-2-yl-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The InChIKey is QAGUSRBIQUJFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O3/c1-16(10-17(16,18)19)15(21)22-9-14(20)13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9-10H2,1H3.
What are the key properties of (2-naphthalen-2-yl-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate?
(2-naphthalen-2-yl-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate has a molecular weight of 337.20 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-2-yl-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 17464453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).