2-(1-chloroethyl)-2-(6-methoxynaphthalen-2-yl)-4-methyl-1,3-dioxolane

C17H19ClO3 — CID 19763892

IUPAC2-(1-chloroethyl)-2-(6-methoxynaphthalen-2-yl)-4-methyl-1,3-dioxolane
SMILESCOc1ccc2cc(C3(C(C)Cl)OCC(C)O3)ccc2c1
InChIInChI=1S/C17H19ClO3/c1-11-10-20-17(21-11,12(2)18)15-6-4-14-9-16(19-3)7-5-13(14)8-15/h4-9,11-12H,10H2,1-3H3
InChIKeyDHVVJLYLNISVHR-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.06
Rot. Bonds3

About 2-(1-chloroethyl)-2-(6-methoxynaphthalen-2-yl)-4-methyl-1,3-dioxolane

2-(1-chloroethyl)-2-(6-methoxynaphthalen-2-yl)-4-methyl-1,3-dioxolane (PubChem CID 19763892) has the molecular formula C17H19ClO3 and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-(1-chloroethyl)-2-(6-methoxynaphthalen-2-yl)-4-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(1-chloroethyl)-2-(6-methoxynaphthalen-2-yl)-4-methyl-1,3-dioxolane
PubChem CID19763892
Molecular FormulaC17H19ClO3
Molecular Weight306.79 g/mol
Exact Mass306.10
IUPAC Name2-(1-chloroethyl)-2-(6-methoxynaphthalen-2-yl)-4-methyl-1,3-dioxolane
SMILESCOc1ccc2cc(C3(C(C)Cl)OCC(C)O3)ccc2c1
InChIInChI=1S/C17H19ClO3/c1-11-10-20-17(21-11,12(2)18)15-6-4-14-9-16(19-3)7-5-13(14)8-15/h4-9,11-12H,10H2,1-3H3
InChIKeyDHVVJLYLNISVHR-UHFFFAOYSA-N
XLogP4.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.06
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-[(1S)-1-bromoethyl]-2-(6-methoxynaphthalen-2-yl)-1,3-dioxolane
CID 18602098
2-[(1S)-1-bromoethyl]-2-(6-methoxynaphthalen-2-yl)-5,5-dimethyl-1,3-dioxane
CID 54472939
3-chloro-3-(6-methoxynaphthalen-2-yl)oxetane
CID 116876570
1-[3-(6-methoxynaphthalen-2-yl)oxetan-3-yl]ethanamine
CID 116869429
3-methoxy-3-(6-methoxynaphthalen-2-yl)oxetane
CID 116876018
[1-(6-methoxynaphthalen-2-yl)-2-methylcyclopropyl]methanol
CID 116842587
1-[2-(6-methoxynaphthalen-2-yl)-4,7-dihydro-1,3-dioxepin-2-yl]ethyl 4-methylbenzenesulfonate
CID 88672514
3-(6-methoxynaphthalen-2-yl)azetidin-3-amine
CID 166607932
2-[chloro-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene
CID 107182339
3-(6-methoxynaphthalen-2-yl)oxetane-3-carboxylic acid
CID 116871824
2-[chloro-(6-methoxynaphthalen-2-yl)methyl]-1,4-dioxane
CID 62805109
2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid
CID 62387826

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-2-(6-methoxynaphthalen-2-yl)-4-methyl-1,3-dioxolane?
The IUPAC name of 2-(1-chloroethyl)-2-(6-methoxynaphthalen-2-yl)-4-methyl-1,3-dioxolane (CID 19763892) is 2-(1-chloroethyl)-2-(6-methoxynaphthalen-2-yl)-4-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(1-chloroethyl)-2-(6-methoxynaphthalen-2-yl)-4-methyl-1,3-dioxolane?
The canonical SMILES for 2-(1-chloroethyl)-2-(6-methoxynaphthalen-2-yl)-4-methyl-1,3-dioxolane is COc1ccc2cc(C3(C(C)Cl)OCC(C)O3)ccc2c1.
What is the InChIKey of 2-(1-chloroethyl)-2-(6-methoxynaphthalen-2-yl)-4-methyl-1,3-dioxolane?
The InChIKey is DHVVJLYLNISVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO3/c1-11-10-20-17(21-11,12(2)18)15-6-4-14-9-16(19-3)7-5-13(14)8-15/h4-9,11-12H,10H2,1-3H3.
What are the key properties of 2-(1-chloroethyl)-2-(6-methoxynaphthalen-2-yl)-4-methyl-1,3-dioxolane?
2-(1-chloroethyl)-2-(6-methoxynaphthalen-2-yl)-4-methyl-1,3-dioxolane has a molecular weight of 306.79 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-2-(6-methoxynaphthalen-2-yl)-4-methyl-1,3-dioxolane is sourced from PubChem (CID 19763892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).