4-(4-methoxy-2-methylphenyl)imino-3-methylcyclohexa-2,5-dien-1-one

C15H15NO2 — CID 102050052

IUPAC4-(4-methoxy-2-methylphenyl)imino-3-methylcyclohexa-2,5-dien-1-one
SMILESCOc1ccc(/N=C2/C=CC(=O)C=C2C)c(C)c1
InChIInChI=1S/C15H15NO2/c1-10-8-12(17)4-6-14(10)16-15-7-5-13(18-3)9-11(15)2/h4-9H,1-3H3/b16-14-
InChIKeyNYFZZYKJSOSTFL-PEZBUJJGSA-N
MW241.29 g/mol
LogP3.16
Rot. Bonds2

About 4-(4-methoxy-2-methylphenyl)imino-3-methylcyclohexa-2,5-dien-1-one

4-(4-methoxy-2-methylphenyl)imino-3-methylcyclohexa-2,5-dien-1-one (PubChem CID 102050052) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylphenyl)imino-3-methylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-(4-methoxy-2-methylphenyl)imino-3-methylcyclohexa-2,5-dien-1-one
PubChem CID102050052
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-(4-methoxy-2-methylphenyl)imino-3-methylcyclohexa-2,5-dien-1-one
SMILESCOc1ccc(/N=C2/C=CC(=O)C=C2C)c(C)c1
InChIInChI=1S/C15H15NO2/c1-10-8-12(17)4-6-14(10)16-15-7-5-13(18-3)9-11(15)2/h4-9H,1-3H3/b16-14-
InChIKeyNYFZZYKJSOSTFL-PEZBUJJGSA-N
XLogP3.16
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NZ)-4-methoxy-N-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 6125311
N'-(4-methoxy-2-methylphenyl)-N,N-dimethylmethanimidamide
CID 25767
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
2-(4-methoxy-2-methylphenyl)-1-methylideneguanidine
CID 89470377
4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
CID 102177256
(4-methoxy-2-methylphenyl)-di(propan-2-yl)bismuthane
CID 22382274
2,2,2-trifluoro-N-(4-methoxy-2-methylphenyl)ethanimidoyl chloride
CID 14972216
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
4-[[4-[(4-methoxy-2-methylphenyl)diazenyl]-3-methylphenyl]diazenyl]-2,5-dimethylaniline
CID 148790382
6-(4-methoxy-2-methylphenyl)-1,3-dimethylpyridin-2-one
CID 159172833
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylphenyl)imino-3-methylcyclohexa-2,5-dien-1-one?
The IUPAC name of 4-(4-methoxy-2-methylphenyl)imino-3-methylcyclohexa-2,5-dien-1-one (CID 102050052) is 4-(4-methoxy-2-methylphenyl)imino-3-methylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-(4-methoxy-2-methylphenyl)imino-3-methylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-(4-methoxy-2-methylphenyl)imino-3-methylcyclohexa-2,5-dien-1-one is COc1ccc(/N=C2/C=CC(=O)C=C2C)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylphenyl)imino-3-methylcyclohexa-2,5-dien-1-one?
The InChIKey is NYFZZYKJSOSTFL-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-8-12(17)4-6-14(10)16-15-7-5-13(18-3)9-11(15)2/h4-9H,1-3H3/b16-14-.
What are the key properties of 4-(4-methoxy-2-methylphenyl)imino-3-methylcyclohexa-2,5-dien-1-one?
4-(4-methoxy-2-methylphenyl)imino-3-methylcyclohexa-2,5-dien-1-one has a molecular weight of 241.29 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylphenyl)imino-3-methylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 102050052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).