4-(2-methoxyethyl)cyclohexa-2,4-dien-1-one

C9H12O2 — CID 15471492

IUPAC4-(2-methoxyethyl)cyclohexa-2,4-dien-1-one
SMILESCOCCC1=CCC(=O)C=C1
InChIInChI=1S/C9H12O2/c1-11-7-6-8-2-4-9(10)5-3-8/h2-4H,5-7H2,1H3
InChIKeyHJRXJTDDTAISGH-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.48
Rot. Bonds3

About 4-(2-methoxyethyl)cyclohexa-2,4-dien-1-one

4-(2-methoxyethyl)cyclohexa-2,4-dien-1-one (PubChem CID 15471492) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4-(2-methoxyethyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name4-(2-methoxyethyl)cyclohexa-2,4-dien-1-one
PubChem CID15471492
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4-(2-methoxyethyl)cyclohexa-2,4-dien-1-one
SMILESCOCCC1=CCC(=O)C=C1
InChIInChI=1S/C9H12O2/c1-11-7-6-8-2-4-9(10)5-3-8/h2-4H,5-7H2,1H3
InChIKeyHJRXJTDDTAISGH-UHFFFAOYSA-N
XLogP1.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 4-(2-methoxyethyl)cyclohexa-2,4-dien-1-one (CID 15471492) is 4-(2-methoxyethyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 4-(2-methoxyethyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 4-(2-methoxyethyl)cyclohexa-2,4-dien-1-one is COCCC1=CCC(=O)C=C1.
What is the InChIKey of 4-(2-methoxyethyl)cyclohexa-2,4-dien-1-one?
The InChIKey is HJRXJTDDTAISGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-11-7-6-8-2-4-9(10)5-3-8/h2-4H,5-7H2,1H3.
What are the key properties of 4-(2-methoxyethyl)cyclohexa-2,4-dien-1-one?
4-(2-methoxyethyl)cyclohexa-2,4-dien-1-one has a molecular weight of 152.19 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 15471492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).