[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] cyclobutanecarboxylate

C18H18O4 — CID 23856260

IUPAC[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] cyclobutanecarboxylate
SMILESCOc1ccc2cc(C(=O)COC(=O)C3CCC3)ccc2c1
InChIInChI=1S/C18H18O4/c1-21-16-8-7-13-9-15(6-5-14(13)10-16)17(19)11-22-18(20)12-3-2-4-12/h5-10,12H,2-4,11H2,1H3
InChIKeyOPMKLZCWCMJLRP-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.37
Rot. Bonds5

About [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] cyclobutanecarboxylate

[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 23856260) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] cyclobutanecarboxylate
PubChem CID23856260
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] cyclobutanecarboxylate
SMILESCOc1ccc2cc(C(=O)COC(=O)C3CCC3)ccc2c1
InChIInChI=1S/C18H18O4/c1-21-16-8-7-13-9-15(6-5-14(13)10-16)17(19)11-22-18(20)12-3-2-4-12/h5-10,12H,2-4,11H2,1H3
InChIKeyOPMKLZCWCMJLRP-UHFFFAOYSA-N
XLogP3.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dimethylphenyl)-2-oxoethyl] cyclobutanecarboxylate
CID 2418966
[2-(4-methoxyphenyl)-2-oxoethyl] (3R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate
CID 11928846
[2-(4-methoxyphenyl)-2-oxoethyl] (3R)-1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate
CID 11928847
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23992407
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
CID 63491322
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 41049313
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] piperidine-4-carboxylate
CID 174964194
(7-methoxynaphthalen-2-yl) cyclohexanecarboxylate
CID 60592496
1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione
CID 10793824
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride
CID 141138578
[2-(4-methoxyphenyl)-2-oxoethyl] 4-[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]cyclohexane-1-carboxylate
CID 6551405

Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] cyclobutanecarboxylate (CID 23856260) is [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] cyclobutanecarboxylate is COc1ccc2cc(C(=O)COC(=O)C3CCC3)ccc2c1.
What is the InChIKey of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is OPMKLZCWCMJLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-21-16-8-7-13-9-15(6-5-14(13)10-16)17(19)11-22-18(20)12-3-2-4-12/h5-10,12H,2-4,11H2,1H3.
What are the key properties of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] cyclobutanecarboxylate?
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 298.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] cyclobutanecarboxylate is sourced from PubChem (CID 23856260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).