2-ethyl-3-[(4-methoxyphenyl)methoxy]-2-methylcyclobutan-1-one

C15H20O3 — CID 66367851

IUPAC2-ethyl-3-[(4-methoxyphenyl)methoxy]-2-methylcyclobutan-1-one
SMILESCCC1(C)C(=O)CC1OCc1ccc(OC)cc1
InChIInChI=1S/C15H20O3/c1-4-15(2)13(16)9-14(15)18-10-11-5-7-12(17-3)8-6-11/h5-8,14H,4,9-10H2,1-3H3
InChIKeyMQMLHVKFPBRLFT-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.97
Rot. Bonds5

About 2-ethyl-3-[(4-methoxyphenyl)methoxy]-2-methylcyclobutan-1-one

2-ethyl-3-[(4-methoxyphenyl)methoxy]-2-methylcyclobutan-1-one (PubChem CID 66367851) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-ethyl-3-[(4-methoxyphenyl)methoxy]-2-methylcyclobutan-1-one.

Molecular Properties

Compound Name2-ethyl-3-[(4-methoxyphenyl)methoxy]-2-methylcyclobutan-1-one
PubChem CID66367851
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-ethyl-3-[(4-methoxyphenyl)methoxy]-2-methylcyclobutan-1-one
SMILESCCC1(C)C(=O)CC1OCc1ccc(OC)cc1
InChIInChI=1S/C15H20O3/c1-4-15(2)13(16)9-14(15)18-10-11-5-7-12(17-3)8-6-11/h5-8,14H,4,9-10H2,1-3H3
InChIKeyMQMLHVKFPBRLFT-UHFFFAOYSA-N
XLogP2.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(4-methoxyphenyl)methoxy]-2-methylcyclobutan-1-one?
The IUPAC name of 2-ethyl-3-[(4-methoxyphenyl)methoxy]-2-methylcyclobutan-1-one (CID 66367851) is 2-ethyl-3-[(4-methoxyphenyl)methoxy]-2-methylcyclobutan-1-one.
What is the SMILES notation for 2-ethyl-3-[(4-methoxyphenyl)methoxy]-2-methylcyclobutan-1-one?
The canonical SMILES for 2-ethyl-3-[(4-methoxyphenyl)methoxy]-2-methylcyclobutan-1-one is CCC1(C)C(=O)CC1OCc1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-3-[(4-methoxyphenyl)methoxy]-2-methylcyclobutan-1-one?
The InChIKey is MQMLHVKFPBRLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-4-15(2)13(16)9-14(15)18-10-11-5-7-12(17-3)8-6-11/h5-8,14H,4,9-10H2,1-3H3.
What are the key properties of 2-ethyl-3-[(4-methoxyphenyl)methoxy]-2-methylcyclobutan-1-one?
2-ethyl-3-[(4-methoxyphenyl)methoxy]-2-methylcyclobutan-1-one has a molecular weight of 248.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[(4-methoxyphenyl)methoxy]-2-methylcyclobutan-1-one is sourced from PubChem (CID 66367851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).