(2,4-dichloronaphthalen-1-yl) 2,2-dimethylpropanoate

C15H14Cl2O2 — CID 91734569

IUPAC(2,4-dichloronaphthalen-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1c(Cl)cc(Cl)c2ccccc12
InChIInChI=1S/C15H14Cl2O2/c1-15(2,3)14(18)19-13-10-7-5-4-6-9(10)11(16)8-12(13)17/h4-8H,1-3H3
InChIKeyDVBIJBKGAYMOMH-UHFFFAOYSA-N
MW297.18 g/mol
LogP5.10
Rot. Bonds1

About (2,4-dichloronaphthalen-1-yl) 2,2-dimethylpropanoate

(2,4-dichloronaphthalen-1-yl) 2,2-dimethylpropanoate (PubChem CID 91734569) has the molecular formula C15H14Cl2O2 and a molecular weight of 297.18 g/mol. Its IUPAC name is (2,4-dichloronaphthalen-1-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2,4-dichloronaphthalen-1-yl) 2,2-dimethylpropanoate
PubChem CID91734569
Molecular FormulaC15H14Cl2O2
Molecular Weight297.18 g/mol
Exact Mass296.04
IUPAC Name(2,4-dichloronaphthalen-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1c(Cl)cc(Cl)c2ccccc12
InChIInChI=1S/C15H14Cl2O2/c1-15(2,3)14(18)19-13-10-7-5-4-6-9(10)11(16)8-12(13)17/h4-8H,1-3H3
InChIKeyDVBIJBKGAYMOMH-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.18
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dichloronaphthalen-1-yl) 2-acetyloxyacetate
CID 91734446
(2,4-dichloronaphthalen-1-yl) 3-methylbenzoate
CID 91710398
(2,4-dichloronaphthalen-1-yl) 2-(trifluoromethyl)benzoate
CID 91726264
(2,4-dichloronaphthalen-1-yl) 4-(trifluoromethyl)benzoate
CID 91726269
(2,4-dichloronaphthalen-1-yl) 3,4-difluorobenzoate
CID 91717061
carbonochloridic acid;phenyl 2,2-dimethylpropanoate
CID 174754992
(2,4-dichloronaphthalen-1-yl) 2,4-difluorobenzoate
CID 91717057
1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one
CID 79601820
(2-chloroquinolin-5-yl) 2,2-dimethylpropanoate
CID 142729394
[2-[2-(2,2-dimethylpropanoyloxy)-3,5-bis(2-phenylethynyl)phenyl]-4,6-bis(2-phenylethynyl)phenyl] 2,2-dimethylpropanoate
CID 15324880
2,4-dichloro-1-propoxynaphthalene
CID 70099872
(4-chloro-1-methoxynaphthalen-2-yl)boronic acid
CID 166475767

Frequently Asked Questions

What is the IUPAC name of (2,4-dichloronaphthalen-1-yl) 2,2-dimethylpropanoate?
The IUPAC name of (2,4-dichloronaphthalen-1-yl) 2,2-dimethylpropanoate (CID 91734569) is (2,4-dichloronaphthalen-1-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2,4-dichloronaphthalen-1-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (2,4-dichloronaphthalen-1-yl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)Oc1c(Cl)cc(Cl)c2ccccc12.
What is the InChIKey of (2,4-dichloronaphthalen-1-yl) 2,2-dimethylpropanoate?
The InChIKey is DVBIJBKGAYMOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O2/c1-15(2,3)14(18)19-13-10-7-5-4-6-9(10)11(16)8-12(13)17/h4-8H,1-3H3.
What are the key properties of (2,4-dichloronaphthalen-1-yl) 2,2-dimethylpropanoate?
(2,4-dichloronaphthalen-1-yl) 2,2-dimethylpropanoate has a molecular weight of 297.18 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloronaphthalen-1-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 91734569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).