3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-ethoxycyclobutan-1-one

C16H21ClO3 — CID 104675156

IUPAC3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-ethoxycyclobutan-1-one
SMILESCCOC1C(=O)CC1Oc1cc(C(C)C)c(Cl)cc1C
InChIInChI=1S/C16H21ClO3/c1-5-19-16-13(18)8-15(16)20-14-7-11(9(2)3)12(17)6-10(14)4/h6-7,9,15-16H,5,8H2,1-4H3
InChIKeyHIQMIOPWPXPXNI-UHFFFAOYSA-N
MW296.79 g/mol
LogP3.90
Rot. Bonds5

About 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-ethoxycyclobutan-1-one

3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-ethoxycyclobutan-1-one (PubChem CID 104675156) has the molecular formula C16H21ClO3 and a molecular weight of 296.79 g/mol. Its IUPAC name is 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-ethoxycyclobutan-1-one.

Molecular Properties

Compound Name3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-ethoxycyclobutan-1-one
PubChem CID104675156
Molecular FormulaC16H21ClO3
Molecular Weight296.79 g/mol
Exact Mass296.12
IUPAC Name3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-ethoxycyclobutan-1-one
SMILESCCOC1C(=O)CC1Oc1cc(C(C)C)c(Cl)cc1C
InChIInChI=1S/C16H21ClO3/c1-5-19-16-13(18)8-15(16)20-14-7-11(9(2)3)12(17)6-10(14)4/h6-7,9,15-16H,5,8H2,1-4H3
InChIKeyHIQMIOPWPXPXNI-UHFFFAOYSA-N
XLogP3.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3-(2-fluoro-3-methylphenoxy)cyclobutan-1-one
CID 107662253
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2,2-diethylcyclobutan-1-ol
CID 66366701
1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene
CID 112812708
1-chloro-4-(3-chloropropoxy)-5-methyl-2-propan-2-ylbenzene
CID 43169722
1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one
CID 55221165
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrimidin-4-amine
CID 80874108
2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one
CID 107942317
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoic acid
CID 16772315
2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65495310
3-(2-fluoro-3-methylphenoxy)-2-propoxycyclobutan-1-one
CID 107942425
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-1-amine
CID 43530998
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)butanenitrile
CID 43351983

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-ethoxycyclobutan-1-one?
The IUPAC name of 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-ethoxycyclobutan-1-one (CID 104675156) is 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-ethoxycyclobutan-1-one.
What is the SMILES notation for 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-ethoxycyclobutan-1-one?
The canonical SMILES for 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-ethoxycyclobutan-1-one is CCOC1C(=O)CC1Oc1cc(C(C)C)c(Cl)cc1C.
What is the InChIKey of 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-ethoxycyclobutan-1-one?
The InChIKey is HIQMIOPWPXPXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO3/c1-5-19-16-13(18)8-15(16)20-14-7-11(9(2)3)12(17)6-10(14)4/h6-7,9,15-16H,5,8H2,1-4H3.
What are the key properties of 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-ethoxycyclobutan-1-one?
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-ethoxycyclobutan-1-one has a molecular weight of 296.79 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-ethoxycyclobutan-1-one is sourced from PubChem (CID 104675156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).