8-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine-6-carbaldehyde

C16H15NO3 — CID 135242356

IUPAC8-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine-6-carbaldehyde
SMILESCOc1cc(C=O)cc2c1OCN(c1ccccc1)C2
InChIInChI=1S/C16H15NO3/c1-19-15-8-12(10-18)7-13-9-17(11-20-16(13)15)14-5-3-2-4-6-14/h2-8,10H,9,11H2,1H3
InChIKeyPBTPYUYAVUKLMH-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.86
Rot. Bonds3

About 8-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine-6-carbaldehyde

8-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine-6-carbaldehyde (PubChem CID 135242356) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 8-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine-6-carbaldehyde.

Molecular Properties

Compound Name8-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine-6-carbaldehyde
PubChem CID135242356
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name8-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine-6-carbaldehyde
SMILESCOc1cc(C=O)cc2c1OCN(c1ccccc1)C2
InChIInChI=1S/C16H15NO3/c1-19-15-8-12(10-18)7-13-9-17(11-20-16(13)15)14-5-3-2-4-6-14/h2-8,10H,9,11H2,1H3
InChIKeyPBTPYUYAVUKLMH-UHFFFAOYSA-N
XLogP2.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dihydroisoindol-2-yl)-3-methoxybenzaldehyde
CID 122625900
3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-phenylpiperidin-4-one
CID 155654046
7-(3,4-dimethoxyphenyl)-3-phenyl-4,8-dihydro-2H-pyrano[3,2-g][1,3]benzoxazine
CID 25002585
3,4-dimethoxy-5-(1-phenylpyrazol-4-yl)benzaldehyde
CID 82039924
4-benzylperoxy-3-methoxybenzaldehyde
CID 126613899
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
furan;4-hydroxy-3-methoxybenzaldehyde
CID 174443799
8-methoxy-3-oxo-2-phenyl-4H-1,4-benzoxazine-6-carbaldehyde
CID 82154067
8-methoxy-2-methyl-3-oxo-4-(1-phenylethyl)-1,4-benzoxazine-6-carbaldehyde
CID 82155594
3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methoxy]-4-methoxybenzaldehyde
CID 7612353
4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde
CID 58610952
4,6-dimethoxydibenzofuran-2-carbaldehyde
CID 23559359

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine-6-carbaldehyde?
The IUPAC name of 8-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine-6-carbaldehyde (CID 135242356) is 8-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine-6-carbaldehyde.
What is the SMILES notation for 8-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine-6-carbaldehyde?
The canonical SMILES for 8-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine-6-carbaldehyde is COc1cc(C=O)cc2c1OCN(c1ccccc1)C2.
What is the InChIKey of 8-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine-6-carbaldehyde?
The InChIKey is PBTPYUYAVUKLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-19-15-8-12(10-18)7-13-9-17(11-20-16(13)15)14-5-3-2-4-6-14/h2-8,10H,9,11H2,1H3.
What are the key properties of 8-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine-6-carbaldehyde?
8-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine-6-carbaldehyde has a molecular weight of 269.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-phenyl-2,4-dihydro-1,3-benzoxazine-6-carbaldehyde is sourced from PubChem (CID 135242356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).