4-methoxy-3-methylideneinden-1-one

C11H10O2 — CID 14973064

IUPAC4-methoxy-3-methylideneinden-1-one
SMILESC=C1CC(=O)c2cccc(OC)c21
InChIInChI=1S/C11H10O2/c1-7-6-9(12)8-4-3-5-10(13-2)11(7)8/h3-5H,1,6H2,2H3
InChIKeyJMHQDUFOHOKBJV-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.29
Rot. Bonds1

About 4-methoxy-3-methylideneinden-1-one

4-methoxy-3-methylideneinden-1-one (PubChem CID 14973064) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-methoxy-3-methylideneinden-1-one.

Molecular Properties

Compound Name4-methoxy-3-methylideneinden-1-one
PubChem CID14973064
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name4-methoxy-3-methylideneinden-1-one
SMILESC=C1CC(=O)c2cccc(OC)c21
InChIInChI=1S/C11H10O2/c1-7-6-9(12)8-4-3-5-10(13-2)11(7)8/h3-5H,1,6H2,2H3
InChIKeyJMHQDUFOHOKBJV-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methylideneinden-1-one?
The IUPAC name of 4-methoxy-3-methylideneinden-1-one (CID 14973064) is 4-methoxy-3-methylideneinden-1-one.
What is the SMILES notation for 4-methoxy-3-methylideneinden-1-one?
The canonical SMILES for 4-methoxy-3-methylideneinden-1-one is C=C1CC(=O)c2cccc(OC)c21.
What is the InChIKey of 4-methoxy-3-methylideneinden-1-one?
The InChIKey is JMHQDUFOHOKBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-7-6-9(12)8-4-3-5-10(13-2)11(7)8/h3-5H,1,6H2,2H3.
What are the key properties of 4-methoxy-3-methylideneinden-1-one?
4-methoxy-3-methylideneinden-1-one has a molecular weight of 174.20 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methylideneinden-1-one is sourced from PubChem (CID 14973064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).