2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone

C15H13ClO2 — CID 63905355

IUPAC2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone
SMILESO=C(COc1ccc(Cl)c2ccccc12)C1CC1
InChIInChI=1S/C15H13ClO2/c16-13-7-8-15(12-4-2-1-3-11(12)13)18-9-14(17)10-5-6-10/h1-4,7-8,10H,5-6,9H2
InChIKeyHJTREKWTYUUYQC-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.85
Rot. Bonds4

About 2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone

2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone (PubChem CID 63905355) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone
PubChem CID63905355
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone
SMILESO=C(COc1ccc(Cl)c2ccccc12)C1CC1
InChIInChI=1S/C15H13ClO2/c16-13-7-8-15(12-4-2-1-3-11(12)13)18-9-14(17)10-5-6-10/h1-4,7-8,10H,5-6,9H2
InChIKeyHJTREKWTYUUYQC-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]ethyl]cyclopropanecarboxamide
CID 31364839
2-(4-chloronaphthalen-1-yl)oxyacetate
CID 6995020
2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone
CID 112779040
4-(4-chloronaphthalen-1-yl)oxybutanoic acid
CID 43351513
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732373
2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide
CID 27745141
2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide
CID 112779036
1-cyclopropyl-2-(2-methoxyphenoxy)ethanone
CID 63914033
1-cyclopropyl-2-(2-fluorophenoxy)ethanone
CID 63913814
2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120945408
2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone
CID 63906456
1-cyclohexyl-2-(2,3-dichlorophenoxy)ethanone
CID 115578570

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone (CID 63905355) is 2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone is O=C(COc1ccc(Cl)c2ccccc12)C1CC1.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone?
The InChIKey is HJTREKWTYUUYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c16-13-7-8-15(12-4-2-1-3-11(12)13)18-9-14(17)10-5-6-10/h1-4,7-8,10H,5-6,9H2.
What are the key properties of 2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone?
2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone has a molecular weight of 260.72 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone is sourced from PubChem (CID 63905355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).