3-[(3-chlorophenyl)methoxy]-2-ethoxycyclobutan-1-one

C13H15ClO3 — CID 104675230

IUPAC3-[(3-chlorophenyl)methoxy]-2-ethoxycyclobutan-1-one
SMILESCCOC1C(=O)CC1OCc1cccc(Cl)c1
InChIInChI=1S/C13H15ClO3/c1-2-16-13-11(15)7-12(13)17-8-9-4-3-5-10(14)6-9/h3-6,12-13H,2,7-8H2,1H3
InChIKeyORGQJYLEADNDGD-UHFFFAOYSA-N
MW254.71 g/mol
LogP2.60
Rot. Bonds5

About 3-[(3-chlorophenyl)methoxy]-2-ethoxycyclobutan-1-one

3-[(3-chlorophenyl)methoxy]-2-ethoxycyclobutan-1-one (PubChem CID 104675230) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methoxy]-2-ethoxycyclobutan-1-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methoxy]-2-ethoxycyclobutan-1-one
PubChem CID104675230
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name3-[(3-chlorophenyl)methoxy]-2-ethoxycyclobutan-1-one
SMILESCCOC1C(=O)CC1OCc1cccc(Cl)c1
InChIInChI=1S/C13H15ClO3/c1-2-16-13-11(15)7-12(13)17-8-9-4-3-5-10(14)6-9/h3-6,12-13H,2,7-8H2,1H3
InChIKeyORGQJYLEADNDGD-UHFFFAOYSA-N
XLogP2.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chlorophenyl)methoxy]cyclobutan-1-one
CID 66367482
3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-one
CID 104673525
trans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine
CID 126644466
3-(5-chloro-7-iodoquinolin-8-yl)oxy-2-ethoxycyclobutan-1-one
CID 104675175
CID 140743910
CID 140743910
3-[(3-chlorophenyl)methoxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66349862
1-(3-chlorophenyl)-2-methyl-3-phenylmethoxypiperidin-4-one
CID 175467545
methyl (3S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 91664291
3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66350520
2-ethoxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclobutan-1-one
CID 104675191
1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223396
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methoxy]-2-ethoxycyclobutan-1-one?
The IUPAC name of 3-[(3-chlorophenyl)methoxy]-2-ethoxycyclobutan-1-one (CID 104675230) is 3-[(3-chlorophenyl)methoxy]-2-ethoxycyclobutan-1-one.
What is the SMILES notation for 3-[(3-chlorophenyl)methoxy]-2-ethoxycyclobutan-1-one?
The canonical SMILES for 3-[(3-chlorophenyl)methoxy]-2-ethoxycyclobutan-1-one is CCOC1C(=O)CC1OCc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methoxy]-2-ethoxycyclobutan-1-one?
The InChIKey is ORGQJYLEADNDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c1-2-16-13-11(15)7-12(13)17-8-9-4-3-5-10(14)6-9/h3-6,12-13H,2,7-8H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)methoxy]-2-ethoxycyclobutan-1-one?
3-[(3-chlorophenyl)methoxy]-2-ethoxycyclobutan-1-one has a molecular weight of 254.71 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methoxy]-2-ethoxycyclobutan-1-one is sourced from PubChem (CID 104675230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).