3-(4-chloro-3-ethylphenoxy)-2-propoxycyclobutan-1-one

C15H19ClO3 — CID 114018819

IUPAC3-(4-chloro-3-ethylphenoxy)-2-propoxycyclobutan-1-one
SMILESCCCOC1C(=O)CC1Oc1ccc(Cl)c(CC)c1
InChIInChI=1S/C15H19ClO3/c1-3-7-18-15-13(17)9-14(15)19-11-5-6-12(16)10(4-2)8-11/h5-6,8,14-15H,3-4,7,9H2,1-2H3
InChIKeyKSPRKICTJPRQNS-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.42
Rot. Bonds6

About 3-(4-chloro-3-ethylphenoxy)-2-propoxycyclobutan-1-one

3-(4-chloro-3-ethylphenoxy)-2-propoxycyclobutan-1-one (PubChem CID 114018819) has the molecular formula C15H19ClO3 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-(4-chloro-3-ethylphenoxy)-2-propoxycyclobutan-1-one.

Molecular Properties

Compound Name3-(4-chloro-3-ethylphenoxy)-2-propoxycyclobutan-1-one
PubChem CID114018819
Molecular FormulaC15H19ClO3
Molecular Weight282.77 g/mol
Exact Mass282.10
IUPAC Name3-(4-chloro-3-ethylphenoxy)-2-propoxycyclobutan-1-one
SMILESCCCOC1C(=O)CC1Oc1ccc(Cl)c(CC)c1
InChIInChI=1S/C15H19ClO3/c1-3-7-18-15-13(17)9-14(15)19-11-5-6-12(16)10(4-2)8-11/h5-6,8,14-15H,3-4,7,9H2,1-2H3
InChIKeyKSPRKICTJPRQNS-UHFFFAOYSA-N
XLogP3.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-ethylphenoxy)-2-propoxycyclobutan-1-one?
The IUPAC name of 3-(4-chloro-3-ethylphenoxy)-2-propoxycyclobutan-1-one (CID 114018819) is 3-(4-chloro-3-ethylphenoxy)-2-propoxycyclobutan-1-one.
What is the SMILES notation for 3-(4-chloro-3-ethylphenoxy)-2-propoxycyclobutan-1-one?
The canonical SMILES for 3-(4-chloro-3-ethylphenoxy)-2-propoxycyclobutan-1-one is CCCOC1C(=O)CC1Oc1ccc(Cl)c(CC)c1.
What is the InChIKey of 3-(4-chloro-3-ethylphenoxy)-2-propoxycyclobutan-1-one?
The InChIKey is KSPRKICTJPRQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3/c1-3-7-18-15-13(17)9-14(15)19-11-5-6-12(16)10(4-2)8-11/h5-6,8,14-15H,3-4,7,9H2,1-2H3.
What are the key properties of 3-(4-chloro-3-ethylphenoxy)-2-propoxycyclobutan-1-one?
3-(4-chloro-3-ethylphenoxy)-2-propoxycyclobutan-1-one has a molecular weight of 282.77 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-ethylphenoxy)-2-propoxycyclobutan-1-one is sourced from PubChem (CID 114018819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).