(2S)-2-methyl-3-phenyl-1,4-benzoxazin-2-ol

C15H13NO2 — CID 642745

IUPAC(2S)-2-methyl-3-phenyl-1,4-benzoxazin-2-ol
SMILESC[C@]1(O)Oc2ccccc2N=C1c1ccccc1
InChIInChI=1S/C15H13NO2/c1-15(17)14(11-7-3-2-4-8-11)16-12-9-5-6-10-13(12)18-15/h2-10,17H,1H3/t15-/m0/s1
InChIKeyDNYXCFLPDIMFLQ-HNNXBMFYSA-N
MW239.27 g/mol
LogP2.91
Rot. Bonds1

About (2S)-2-methyl-3-phenyl-1,4-benzoxazin-2-ol

(2S)-2-methyl-3-phenyl-1,4-benzoxazin-2-ol (PubChem CID 642745) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (2S)-2-methyl-3-phenyl-1,4-benzoxazin-2-ol.

Molecular Properties

Compound Name(2S)-2-methyl-3-phenyl-1,4-benzoxazin-2-ol
PubChem CID642745
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(2S)-2-methyl-3-phenyl-1,4-benzoxazin-2-ol
SMILESC[C@]1(O)Oc2ccccc2N=C1c1ccccc1
InChIInChI=1S/C15H13NO2/c1-15(17)14(11-7-3-2-4-8-11)16-12-9-5-6-10-13(12)18-15/h2-10,17H,1H3/t15-/m0/s1
InChIKeyDNYXCFLPDIMFLQ-HNNXBMFYSA-N
XLogP2.91
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 90996712
3,3-dimethyl-2-phenyl-4H-quinoline
CID 58982953
2,3-diphenyl-1H-quinoxalin-2-ol
CID 73073640
4,4-dichloro-5-methyl-3-phenyl-1,2-oxazol-5-ol
CID 12905773
1-(2,4a-dihydroxy-3-methoxyphenoxazin-1-yl)ethanone
CID 137297958
2,2-dimethyl-3-phenyl-1,4-benzoxazine;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;iridium
CID 58983140
13,14-diphenyl-2,5-dioxa-12,15-diazatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,12,14,16,18-octaene
CID 101367912
ethyl 3-methyl-2-phenylindole-3-carboxylate
CID 46854944
2,2-dimethyl-4-[(E)-2-(4-methylphenyl)ethenyl]-3H-1,5-benzoxazepine
CID 155569924
5-hydroxy-3,5-dimethyl-4-phenylfuran-2-one
CID 15647321
(3R)-2,2-dimethyl-3-quinolin-2-yl-1,4-benzodioxin-3-ol
CID 2303816
2-methyl-2,3-diphenylazirine
CID 13307627

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-phenyl-1,4-benzoxazin-2-ol?
The IUPAC name of (2S)-2-methyl-3-phenyl-1,4-benzoxazin-2-ol (CID 642745) is (2S)-2-methyl-3-phenyl-1,4-benzoxazin-2-ol.
What is the SMILES notation for (2S)-2-methyl-3-phenyl-1,4-benzoxazin-2-ol?
The canonical SMILES for (2S)-2-methyl-3-phenyl-1,4-benzoxazin-2-ol is C[C@]1(O)Oc2ccccc2N=C1c1ccccc1.
What is the InChIKey of (2S)-2-methyl-3-phenyl-1,4-benzoxazin-2-ol?
The InChIKey is DNYXCFLPDIMFLQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-15(17)14(11-7-3-2-4-8-11)16-12-9-5-6-10-13(12)18-15/h2-10,17H,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-methyl-3-phenyl-1,4-benzoxazin-2-ol?
(2S)-2-methyl-3-phenyl-1,4-benzoxazin-2-ol has a molecular weight of 239.27 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-phenyl-1,4-benzoxazin-2-ol is sourced from PubChem (CID 642745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).