3-(4-methylphenoxy)-2-propoxycyclobutan-1-one

C14H18O3 — CID 107942231

IUPAC3-(4-methylphenoxy)-2-propoxycyclobutan-1-one
SMILESCCCOC1C(=O)CC1Oc1ccc(C)cc1
InChIInChI=1S/C14H18O3/c1-3-8-16-14-12(15)9-13(14)17-11-6-4-10(2)5-7-11/h4-7,13-14H,3,8-9H2,1-2H3
InChIKeyTUTJQQOFAWYAKK-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.51
Rot. Bonds5

About 3-(4-methylphenoxy)-2-propoxycyclobutan-1-one

3-(4-methylphenoxy)-2-propoxycyclobutan-1-one (PubChem CID 107942231) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-2-propoxycyclobutan-1-one.

Molecular Properties

Compound Name3-(4-methylphenoxy)-2-propoxycyclobutan-1-one
PubChem CID107942231
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name3-(4-methylphenoxy)-2-propoxycyclobutan-1-one
SMILESCCCOC1C(=O)CC1Oc1ccc(C)cc1
InChIInChI=1S/C14H18O3/c1-3-8-16-14-12(15)9-13(14)17-11-6-4-10(2)5-7-11/h4-7,13-14H,3,8-9H2,1-2H3
InChIKeyTUTJQQOFAWYAKK-UHFFFAOYSA-N
XLogP2.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-3-ethylphenoxy)-2-propoxycyclobutan-1-one
CID 114018819
2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one
CID 107942317
3-(3-bromophenoxy)-2-propoxycyclobutan-1-one
CID 107942210
2-ethoxy-3-(4-propylphenoxy)cyclobutan-1-one
CID 104675205
3-(2-fluoro-3-methylphenoxy)-2-propoxycyclobutan-1-one
CID 107942425
2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 113439863
3-(2-methylquinolin-8-yl)oxy-2-propoxycyclobutan-1-one
CID 107942290
2-propoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one
CID 107942238
3-[(2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-one
CID 107942268
2-ethoxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclobutan-1-one
CID 104675191
2-ethoxy-3-(3,4,5-trimethoxyphenoxy)cyclobutan-1-one
CID 104675265
3-[(3-bromophenyl)methoxy]-2-propoxycyclobutan-1-one
CID 107942380

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-2-propoxycyclobutan-1-one?
The IUPAC name of 3-(4-methylphenoxy)-2-propoxycyclobutan-1-one (CID 107942231) is 3-(4-methylphenoxy)-2-propoxycyclobutan-1-one.
What is the SMILES notation for 3-(4-methylphenoxy)-2-propoxycyclobutan-1-one?
The canonical SMILES for 3-(4-methylphenoxy)-2-propoxycyclobutan-1-one is CCCOC1C(=O)CC1Oc1ccc(C)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-2-propoxycyclobutan-1-one?
The InChIKey is TUTJQQOFAWYAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-3-8-16-14-12(15)9-13(14)17-11-6-4-10(2)5-7-11/h4-7,13-14H,3,8-9H2,1-2H3.
What are the key properties of 3-(4-methylphenoxy)-2-propoxycyclobutan-1-one?
3-(4-methylphenoxy)-2-propoxycyclobutan-1-one has a molecular weight of 234.29 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)-2-propoxycyclobutan-1-one is sourced from PubChem (CID 107942231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).