10-methyl-3-[(E)-2-phenylethenyl]phenoxazine

C21H17NO — CID 23239028

IUPAC10-methyl-3-[(E)-2-phenylethenyl]phenoxazine
SMILESCN1c2ccccc2Oc2cc(/C=C/c3ccccc3)ccc21
InChIInChI=1S/C21H17NO/c1-22-18-9-5-6-10-20(18)23-21-15-17(13-14-19(21)22)12-11-16-7-3-2-4-8-16/h2-15H,1H3/b12-11+
InChIKeyWIMQTTJUYYISFZ-VAWYXSNFSA-N
MW299.37 g/mol
LogP5.73
Rot. Bonds2

About 10-methyl-3-[(E)-2-phenylethenyl]phenoxazine

10-methyl-3-[(E)-2-phenylethenyl]phenoxazine (PubChem CID 23239028) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 10-methyl-3-[(E)-2-phenylethenyl]phenoxazine.

Molecular Properties

Compound Name10-methyl-3-[(E)-2-phenylethenyl]phenoxazine
PubChem CID23239028
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name10-methyl-3-[(E)-2-phenylethenyl]phenoxazine
SMILESCN1c2ccccc2Oc2cc(/C=C/c3ccccc3)ccc21
InChIInChI=1S/C21H17NO/c1-22-18-9-5-6-10-20(18)23-21-15-17(13-14-19(21)22)12-11-16-7-3-2-4-8-16/h2-15H,1H3/b12-11+
InChIKeyWIMQTTJUYYISFZ-VAWYXSNFSA-N
XLogP5.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.37
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis[(E)-2-(10-phenylphenoxazin-3-yl)ethenyl]benzene-1,4-dicarbonitrile
CID 89341929
15-phenyl-5-[(E)-2-phenylethenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469318
3-carbazol-9-yl-10-methylphenoxazine
CID 130351981
12-methyl-9-(10-methylphenoxazin-2-yl)benzo[b]phenoxazine
CID 155421136
(2E)-2-ethylidene-3-methyl-1,3-benzoxazole
CID 143296132
5-ethenyl-11-(5-ethenyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 129291402
ethane;10-phenylphenoxazine
CID 123756019
(E)-4-(5,10-dimethylphenazin-2-yl)but-3-en-2-one
CID 21235336
10-methyl-9-[(E)-2-phenylethenyl]-9H-acridine;hydroiodide
CID 175144014
3-methyl-2-(2-naphthalen-2-ylethenylidene)-1,3-benzoxazole
CID 151788347
N,N-dimethylmethanamine;stilbene
CID 174368184
2-ethenyl-5,10-dimethylphenazine
CID 22055360

Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-[(E)-2-phenylethenyl]phenoxazine?
The IUPAC name of 10-methyl-3-[(E)-2-phenylethenyl]phenoxazine (CID 23239028) is 10-methyl-3-[(E)-2-phenylethenyl]phenoxazine.
What is the SMILES notation for 10-methyl-3-[(E)-2-phenylethenyl]phenoxazine?
The canonical SMILES for 10-methyl-3-[(E)-2-phenylethenyl]phenoxazine is CN1c2ccccc2Oc2cc(/C=C/c3ccccc3)ccc21.
What is the InChIKey of 10-methyl-3-[(E)-2-phenylethenyl]phenoxazine?
The InChIKey is WIMQTTJUYYISFZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H17NO/c1-22-18-9-5-6-10-20(18)23-21-15-17(13-14-19(21)22)12-11-16-7-3-2-4-8-16/h2-15H,1H3/b12-11+.
What are the key properties of 10-methyl-3-[(E)-2-phenylethenyl]phenoxazine?
10-methyl-3-[(E)-2-phenylethenyl]phenoxazine has a molecular weight of 299.37 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-[(E)-2-phenylethenyl]phenoxazine is sourced from PubChem (CID 23239028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).