(2R)-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one

C14H11NO2 — CID 777109

IUPAC(2R)-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one
SMILESO=C1N[C@@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C14H11NO2/c16-13-11-8-4-5-9-12(11)17-14(15-13)10-6-2-1-3-7-10/h1-9,14H,(H,15,16)/t14-/m1/s1
InChIKeyAMZRLVJMBHMIPA-CQSZACIVSA-N
MW225.25 g/mol
LogP2.51
Rot. Bonds1

About (2R)-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one

(2R)-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one (PubChem CID 777109) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is (2R)-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name(2R)-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one
PubChem CID777109
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name(2R)-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one
SMILESO=C1N[C@@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C14H11NO2/c16-13-11-8-4-5-9-12(11)17-14(15-13)10-6-2-1-3-7-10/h1-9,14H,(H,15,16)/t14-/m1/s1
InChIKeyAMZRLVJMBHMIPA-CQSZACIVSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-ethylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 777827
(2R)-2-(3-phenoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 2320255
6-bromo-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one
CID 176555493
2-naphthalen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one
CID 6489068
N-[4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl]acetamide
CID 853671
(2R)-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 2470269
2-thiophen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one
CID 3239870
[4-[(2R)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl] butanoate
CID 7449375
2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 4859193
(2R)-2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 2026752
(2S)-2-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one
CID 2312685
6-amino-2-(3-phenoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 172562227

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one?
The IUPAC name of (2R)-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one (CID 777109) is (2R)-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one.
What is the SMILES notation for (2R)-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one?
The canonical SMILES for (2R)-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one is O=C1N[C@@H](c2ccccc2)Oc2ccccc21.
What is the InChIKey of (2R)-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one?
The InChIKey is AMZRLVJMBHMIPA-CQSZACIVSA-N. The full InChI is InChI=1S/C14H11NO2/c16-13-11-8-4-5-9-12(11)17-14(15-13)10-6-2-1-3-7-10/h1-9,14H,(H,15,16)/t14-/m1/s1.
What are the key properties of (2R)-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one?
(2R)-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one has a molecular weight of 225.25 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one is sourced from PubChem (CID 777109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).