6-anilinooxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde

C14H15NO2 — CID 140987286

IUPAC6-anilinooxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde
SMILESCC1(ONc2ccccc2)C=CC=CC1C=O
InChIInChI=1S/C14H15NO2/c1-14(10-6-5-7-12(14)11-16)17-15-13-8-3-2-4-9-13/h2-12,15H,1H3
InChIKeyOKFIRIGDCAQXFX-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.73
Rot. Bonds4

About 6-anilinooxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde

6-anilinooxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 140987286) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-anilinooxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name6-anilinooxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde
PubChem CID140987286
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name6-anilinooxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde
SMILESCC1(ONc2ccccc2)C=CC=CC1C=O
InChIInChI=1S/C14H15NO2/c1-14(10-6-5-7-12(14)11-16)17-15-13-8-3-2-4-9-13/h2-12,15H,1H3
InChIKeyOKFIRIGDCAQXFX-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

anilino formate;ethane
CID 158049323
N-tert-butyl-2-(6-formyl-1-methylcyclohexa-2,4-dien-1-yl)benzenesulfonamide
CID 173325340
6-hydroxy-6-(3-methylphenyl)cyclohexa-2,4-diene-1-carbaldehyde
CID 87817177
3-anilinooxy-3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-one
CID 139972425
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CID 88519173
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CID 159505017
N-sulfanyloxyaniline
CID 141339499
5-chloro-5-methyl-6-phenylcyclohexa-1,3-diene
CID 70549664
2-anilinooxy-2-methylcycloheptan-1-one
CID 139972445
(1R)-6,6-dinitro-N-phenylcyclohexa-2,4-dien-1-amine
CID 124639754
6-methyl-6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-diene-1-carboxylic acid
CID 69362107
acetic acid;N-methoxyaniline
CID 174899473

Frequently Asked Questions

What is the IUPAC name of 6-anilinooxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 6-anilinooxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde (CID 140987286) is 6-anilinooxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 6-anilinooxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 6-anilinooxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde is CC1(ONc2ccccc2)C=CC=CC1C=O.
What is the InChIKey of 6-anilinooxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is OKFIRIGDCAQXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-14(10-6-5-7-12(14)11-16)17-15-13-8-3-2-4-9-13/h2-12,15H,1H3.
What are the key properties of 6-anilinooxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde?
6-anilinooxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 229.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilinooxy-6-methylcyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 140987286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).