1-(4-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)ethanone

C11H16O2 — CID 89073498

IUPAC1-(4-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)ethanone
SMILESCOC1=CC(C)C(C)(C(C)=O)C=C1
InChIInChI=1S/C11H16O2/c1-8-7-10(13-4)5-6-11(8,3)9(2)12/h5-8H,1-4H3
InChIKeyXJRHXFFYVBDTDO-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.32
Rot. Bonds2

About 1-(4-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)ethanone

1-(4-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)ethanone (PubChem CID 89073498) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(4-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)ethanone
PubChem CID89073498
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(4-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)ethanone
SMILESCOC1=CC(C)C(C)(C(C)=O)C=C1
InChIInChI=1S/C11H16O2/c1-8-7-10(13-4)5-6-11(8,3)9(2)12/h5-8H,1-4H3
InChIKeyXJRHXFFYVBDTDO-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)ethanone?
The IUPAC name of 1-(4-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)ethanone (CID 89073498) is 1-(4-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)ethanone.
What is the SMILES notation for 1-(4-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)ethanone?
The canonical SMILES for 1-(4-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)ethanone is COC1=CC(C)C(C)(C(C)=O)C=C1.
What is the InChIKey of 1-(4-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)ethanone?
The InChIKey is XJRHXFFYVBDTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-7-10(13-4)5-6-11(8,3)9(2)12/h5-8H,1-4H3.
What are the key properties of 1-(4-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)ethanone?
1-(4-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)ethanone has a molecular weight of 180.25 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)ethanone is sourced from PubChem (CID 89073498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).