3-(4-chloronaphthalen-1-yl)oxy-2-ethoxycyclobutan-1-one

C16H15ClO3 — CID 104675178

IUPAC3-(4-chloronaphthalen-1-yl)oxy-2-ethoxycyclobutan-1-one
SMILESCCOC1C(=O)CC1Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H15ClO3/c1-2-19-16-13(18)9-15(16)20-14-8-7-12(17)10-5-3-4-6-11(10)14/h3-8,15-16H,2,9H2,1H3
InChIKeyJPLHYSKSHGZDQH-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.62
Rot. Bonds4

About 3-(4-chloronaphthalen-1-yl)oxy-2-ethoxycyclobutan-1-one

3-(4-chloronaphthalen-1-yl)oxy-2-ethoxycyclobutan-1-one (PubChem CID 104675178) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-(4-chloronaphthalen-1-yl)oxy-2-ethoxycyclobutan-1-one.

Molecular Properties

Compound Name3-(4-chloronaphthalen-1-yl)oxy-2-ethoxycyclobutan-1-one
PubChem CID104675178
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name3-(4-chloronaphthalen-1-yl)oxy-2-ethoxycyclobutan-1-one
SMILESCCOC1C(=O)CC1Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H15ClO3/c1-2-19-16-13(18)9-15(16)20-14-8-7-12(17)10-5-3-4-6-11(10)14/h3-8,15-16H,2,9H2,1H3
InChIKeyJPLHYSKSHGZDQH-UHFFFAOYSA-N
XLogP3.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-4-(3-chloro-2-ethoxycyclobutyl)oxynaphthalene
CID 104675740
3-(2-chloro-6-fluorophenoxy)-2-ethoxycyclobutan-1-one
CID 104675258
2-ethoxy-3-(2-phenylphenoxy)cyclobutan-1-one
CID 104675094
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-ethoxycyclobutan-1-one
CID 104675156
2-ethoxy-3-(2-fluoro-3-methylphenoxy)cyclobutan-1-one
CID 107662253
3-(5-chloro-7-iodoquinolin-8-yl)oxy-2-ethoxycyclobutan-1-one
CID 104675175
3-(3-chloro-4-fluorophenoxy)-2-ethoxycyclobutan-1-one
CID 104675215
2-ethoxy-3-(3,4,5-trimethoxyphenoxy)cyclobutan-1-one
CID 104675265
2-ethoxy-3-(4-propylphenoxy)cyclobutan-1-one
CID 104675205
3-[(3-chlorophenyl)methoxy]-2-ethoxycyclobutan-1-one
CID 104675230
2-ethoxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclobutan-1-one
CID 104675191
2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 113439863

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloronaphthalen-1-yl)oxy-2-ethoxycyclobutan-1-one?
The IUPAC name of 3-(4-chloronaphthalen-1-yl)oxy-2-ethoxycyclobutan-1-one (CID 104675178) is 3-(4-chloronaphthalen-1-yl)oxy-2-ethoxycyclobutan-1-one.
What is the SMILES notation for 3-(4-chloronaphthalen-1-yl)oxy-2-ethoxycyclobutan-1-one?
The canonical SMILES for 3-(4-chloronaphthalen-1-yl)oxy-2-ethoxycyclobutan-1-one is CCOC1C(=O)CC1Oc1ccc(Cl)c2ccccc12.
What is the InChIKey of 3-(4-chloronaphthalen-1-yl)oxy-2-ethoxycyclobutan-1-one?
The InChIKey is JPLHYSKSHGZDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-2-19-16-13(18)9-15(16)20-14-8-7-12(17)10-5-3-4-6-11(10)14/h3-8,15-16H,2,9H2,1H3.
What are the key properties of 3-(4-chloronaphthalen-1-yl)oxy-2-ethoxycyclobutan-1-one?
3-(4-chloronaphthalen-1-yl)oxy-2-ethoxycyclobutan-1-one has a molecular weight of 290.75 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloronaphthalen-1-yl)oxy-2-ethoxycyclobutan-1-one is sourced from PubChem (CID 104675178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).