2-phenyl-2H-1,3-benzoxazine

C14H11NO — CID 141035286

IUPAC2-phenyl-2H-1,3-benzoxazine
SMILESC1=NC(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C14H11NO/c1-2-6-11(7-3-1)14-15-10-12-8-4-5-9-13(12)16-14/h1-10,14H
InChIKeyFWGRBSKFTSRZHA-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.20
Rot. Bonds1

About 2-phenyl-2H-1,3-benzoxazine

2-phenyl-2H-1,3-benzoxazine (PubChem CID 141035286) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-phenyl-2H-1,3-benzoxazine.

Molecular Properties

Compound Name2-phenyl-2H-1,3-benzoxazine
PubChem CID141035286
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name2-phenyl-2H-1,3-benzoxazine
SMILESC1=NC(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C14H11NO/c1-2-6-11(7-3-1)14-15-10-12-8-4-5-9-13(12)16-14/h1-10,14H
InChIKeyFWGRBSKFTSRZHA-UHFFFAOYSA-N
XLogP3.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2H-1,3-benzoxazine-2-carbonitrile
CID 141167030
1,2,3-benzoxathiazine
CID 22055088
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CID 175678930
2-phenyl-6-(phenylmethoxymethyl)-2H-1,3-oxazine
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CID 59871570
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CID 22491669
(2R)-3-nitro-2-phenyl-2H-chromene
CID 672286
5-phenyl-2-[4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 127262929
2H-chromene-2-thiol
CID 154323304
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 13310359

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2H-1,3-benzoxazine?
The IUPAC name of 2-phenyl-2H-1,3-benzoxazine (CID 141035286) is 2-phenyl-2H-1,3-benzoxazine.
What is the SMILES notation for 2-phenyl-2H-1,3-benzoxazine?
The canonical SMILES for 2-phenyl-2H-1,3-benzoxazine is C1=NC(c2ccccc2)Oc2ccccc21.
What is the InChIKey of 2-phenyl-2H-1,3-benzoxazine?
The InChIKey is FWGRBSKFTSRZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-2-6-11(7-3-1)14-15-10-12-8-4-5-9-13(12)16-14/h1-10,14H.
What are the key properties of 2-phenyl-2H-1,3-benzoxazine?
2-phenyl-2H-1,3-benzoxazine has a molecular weight of 209.25 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2H-1,3-benzoxazine is sourced from PubChem (CID 141035286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).