1-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)ethanone

C10H14O3 — CID 149140620

IUPAC1-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)ethanone
SMILESCOC1=CC=CC(OC)C1C(C)=O
InChIInChI=1S/C10H14O3/c1-7(11)10-8(12-2)5-4-6-9(10)13-3/h4-6,8,10H,1-3H3
InChIKeyRHROQRNEERQFTO-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.31
Rot. Bonds3

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

1-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)ethanone (PubChem CID 149140620) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)ethanone
PubChem CID149140620
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)ethanone
SMILESCOC1=CC=CC(OC)C1C(C)=O
InChIInChI=1S/C10H14O3/c1-7(11)10-8(12-2)5-4-6-9(10)13-3/h4-6,8,10H,1-3H3
InChIKeyRHROQRNEERQFTO-UHFFFAOYSA-N
XLogP1.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetyldihydroresorcinol
CID 129651663
1-(4-Fluoro-6-prop-2-enoxycyclohexa-2,4-dien-1-yl)ethanone
CID 143570388
7-Hydroxy-4a,8a-dihydro-4h-chromen-4-one
CID 172052382
4a,8a-Dihydrochromen-4-one
CID 22666355
3-Methyl-4a,8a-dihydrochromen-4-one
CID 57887871
2-Methyl-4a,8a-dihydrochromen-4-one
CID 57887952
1-(6,6-Dimethoxycyclohexa-2,4-dien-1-yl)ethanone
CID 66823211
5a,9a-dihydro-2H-1-benzoxepin-5-one
CID 67010108
1-(6-Bromo-3,6-dimethoxycyclohexa-2,4-dien-1-yl)ethanone
CID 67031008
1-(6-Bromo-4,6-dimethoxycyclohexa-2,4-dien-1-yl)ethanone
CID 70202434
2,3,5-Tris(3-methylbut-1-enyl)-2,3-dihydropyran-4-one
CID 70400962
1-(6-Methoxycyclohexa-2,4-dien-1-yl)ethanone
CID 117790216

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)ethanone?
The IUPAC name of 1-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)ethanone (CID 149140620) is 1-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)ethanone.
What is the SMILES notation for 1-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)ethanone?
The canonical SMILES for 1-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)ethanone is COC1=CC=CC(OC)C1C(C)=O.
What is the InChIKey of 1-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)ethanone?
The InChIKey is RHROQRNEERQFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7(11)10-8(12-2)5-4-6-9(10)13-3/h4-6,8,10H,1-3H3.
What are the key properties of 1-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)ethanone?
1-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)ethanone has a molecular weight of 182.22 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxycyclohexa-2,4-dien-1-yl)ethanone is sourced from PubChem (CID 149140620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).