1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone

C15H13ClO2 — CID 43388554

IUPAC1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone
SMILESC=C(Cl)COc1c(C(C)=O)ccc2ccccc12
InChIInChI=1S/C15H13ClO2/c1-10(16)9-18-15-13(11(2)17)8-7-12-5-3-4-6-14(12)15/h3-8H,1,9H2,2H3
InChIKeySLKJUIDETFMBSX-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.17
Rot. Bonds4

About 1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone

1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone (PubChem CID 43388554) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone
PubChem CID43388554
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone
SMILESC=C(Cl)COc1c(C(C)=O)ccc2ccccc12
InChIInChI=1S/C15H13ClO2/c1-10(16)9-18-15-13(11(2)17)8-7-12-5-3-4-6-14(12)15/h3-8H,1,9H2,2H3
InChIKeySLKJUIDETFMBSX-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone
CID 43388547
1-[1-(4-bromobutoxy)naphthalen-2-yl]ethanone
CID 43475231
1-(1-but-2-ynoxynaphthalen-2-yl)ethanone
CID 62312338
1-(1-hexoxynaphthalen-2-yl)ethanone
CID 43474263
1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]ethanone
CID 43474269
1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone
CID 43474275
1-[1-(3-bromo-2-methylpropoxy)naphthalen-2-yl]ethanone
CID 64995823
1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone
CID 613064
1-[1-(2-methylpentoxy)naphthalen-2-yl]ethanone
CID 63530568
1-[1-(3-ethylsulfanylpropoxy)naphthalen-2-yl]ethanone
CID 115659124
1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone
CID 43474266
1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone
CID 143253129

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone?
The IUPAC name of 1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone (CID 43388554) is 1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone?
The canonical SMILES for 1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone is C=C(Cl)COc1c(C(C)=O)ccc2ccccc12.
What is the InChIKey of 1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone?
The InChIKey is SLKJUIDETFMBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-10(16)9-18-15-13(11(2)17)8-7-12-5-3-4-6-14(12)15/h3-8H,1,9H2,2H3.
What are the key properties of 1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone?
1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone has a molecular weight of 260.72 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloroprop-2-enoxy)naphthalen-2-yl]ethanone is sourced from PubChem (CID 43388554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).