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

C21H17NO3 — CID 2470269

IUPAC(2R)-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESO=C1N[C@@H](c2ccc(OCc3ccccc3)cc2)Oc2ccccc21
InChIInChI=1S/C21H17NO3/c23-20-18-8-4-5-9-19(18)25-21(22-20)16-10-12-17(13-11-16)24-14-15-6-2-1-3-7-15/h1-13,21H,14H2,(H,22,23)/t21-/m1/s1
InChIKeyYOYISXTUJUCCGK-OAQYLSRUSA-N
MW331.37 g/mol
LogP4.09
Rot. Bonds4

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

(2R)-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one (PubChem CID 2470269) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is (2R)-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name(2R)-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
PubChem CID2470269
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name(2R)-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESO=C1N[C@@H](c2ccc(OCc3ccccc3)cc2)Oc2ccccc21
InChIInChI=1S/C21H17NO3/c23-20-18-8-4-5-9-19(18)25-21(22-20)16-10-12-17(13-11-16)24-14-15-6-2-1-3-7-15/h1-13,21H,14H2,(H,22,23)/t21-/m1/s1
InChIKeyYOYISXTUJUCCGK-OAQYLSRUSA-N
XLogP4.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2R)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl] butanoate
CID 7449375
2-naphthalen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one
CID 6489068
(4R,5S)-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 24993379
(3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione
CID 155535405
2-(4-chlorophenyl)-6-phenylmethoxy-1-benzofuran-3-one
CID 11772503
(2R)-2-[3-ethoxy-4-(2-methylprop-2-enoxy)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one
CID 7449385
(2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride
CID 171196929
2-(4-phenylmethoxyphenyl)-2,3-dihydropyran-6-one
CID 56668686
[2-methoxy-4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl] propanoate
CID 7450993
5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one
CID 54587409
1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene
CID 125154534
(4-phenylmethoxyphenyl) hypobromite
CID 151898979

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The IUPAC name of (2R)-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one (CID 2470269) is (2R)-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one.
What is the SMILES notation for (2R)-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The canonical SMILES for (2R)-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one is O=C1N[C@@H](c2ccc(OCc3ccccc3)cc2)Oc2ccccc21.
What is the InChIKey of (2R)-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The InChIKey is YOYISXTUJUCCGK-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H17NO3/c23-20-18-8-4-5-9-19(18)25-21(22-20)16-10-12-17(13-11-16)24-14-15-6-2-1-3-7-15/h1-13,21H,14H2,(H,22,23)/t21-/m1/s1.
What are the key properties of (2R)-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
(2R)-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one has a molecular weight of 331.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one is sourced from PubChem (CID 2470269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).