4-methoxy-4-(2-methoxyphenyl)-2-methylcyclobut-2-en-1-one

C13H14O3 — CID 10330983

IUPAC4-methoxy-4-(2-methoxyphenyl)-2-methylcyclobut-2-en-1-one
SMILESCOc1ccccc1C1(OC)C=C(C)C1=O
InChIInChI=1S/C13H14O3/c1-9-8-13(16-3,12(9)14)10-6-4-5-7-11(10)15-2/h4-8H,1-3H3
InChIKeyGPOOYAJAKKDYQF-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.07
Rot. Bonds3

About 4-methoxy-4-(2-methoxyphenyl)-2-methylcyclobut-2-en-1-one

4-methoxy-4-(2-methoxyphenyl)-2-methylcyclobut-2-en-1-one (PubChem CID 10330983) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-methoxy-4-(2-methoxyphenyl)-2-methylcyclobut-2-en-1-one.

Molecular Properties

Compound Name4-methoxy-4-(2-methoxyphenyl)-2-methylcyclobut-2-en-1-one
PubChem CID10330983
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name4-methoxy-4-(2-methoxyphenyl)-2-methylcyclobut-2-en-1-one
SMILESCOc1ccccc1C1(OC)C=C(C)C1=O
InChIInChI=1S/C13H14O3/c1-9-8-13(16-3,12(9)14)10-6-4-5-7-11(10)15-2/h4-8H,1-3H3
InChIKeyGPOOYAJAKKDYQF-UHFFFAOYSA-N
XLogP2.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-(2-methoxyphenyl)-2-methylcyclobut-2-en-1-one?
The IUPAC name of 4-methoxy-4-(2-methoxyphenyl)-2-methylcyclobut-2-en-1-one (CID 10330983) is 4-methoxy-4-(2-methoxyphenyl)-2-methylcyclobut-2-en-1-one.
What is the SMILES notation for 4-methoxy-4-(2-methoxyphenyl)-2-methylcyclobut-2-en-1-one?
The canonical SMILES for 4-methoxy-4-(2-methoxyphenyl)-2-methylcyclobut-2-en-1-one is COc1ccccc1C1(OC)C=C(C)C1=O.
What is the InChIKey of 4-methoxy-4-(2-methoxyphenyl)-2-methylcyclobut-2-en-1-one?
The InChIKey is GPOOYAJAKKDYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-9-8-13(16-3,12(9)14)10-6-4-5-7-11(10)15-2/h4-8H,1-3H3.
What are the key properties of 4-methoxy-4-(2-methoxyphenyl)-2-methylcyclobut-2-en-1-one?
4-methoxy-4-(2-methoxyphenyl)-2-methylcyclobut-2-en-1-one has a molecular weight of 218.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-(2-methoxyphenyl)-2-methylcyclobut-2-en-1-one is sourced from PubChem (CID 10330983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).