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

C16H15NO2 — CID 777827

IUPAC(2R)-2-(4-ethylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESCCc1ccc([C@@H]2NC(=O)c3ccccc3O2)cc1
InChIInChI=1S/C16H15NO2/c1-2-11-7-9-12(10-8-11)16-17-15(18)13-5-3-4-6-14(13)19-16/h3-10,16H,2H2,1H3,(H,17,18)/t16-/m1/s1
InChIKeyFNBYVTLFGYBTNZ-MRXNPFEDSA-N
MW253.30 g/mol
LogP3.07
Rot. Bonds2

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

(2R)-2-(4-ethylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one (PubChem CID 777827) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2R)-2-(4-ethylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name(2R)-2-(4-ethylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
PubChem CID777827
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(2R)-2-(4-ethylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESCCc1ccc([C@@H]2NC(=O)c3ccccc3O2)cc1
InChIInChI=1S/C16H15NO2/c1-2-11-7-9-12(10-8-11)16-17-15(18)13-5-3-4-6-14(13)19-16/h3-10,16H,2H2,1H3,(H,17,18)/t16-/m1/s1
InChIKeyFNBYVTLFGYBTNZ-MRXNPFEDSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one
CID 777109
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
[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
[2-methoxy-4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl] propanoate
CID 7450993
(2R)-2-(3-ethoxy-4-prop-2-enoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 7450988
(2R)-2-[3-ethoxy-4-(2-methylprop-2-enoxy)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one
CID 7449385
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
(2R)-2-(3-phenoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 2320255
2-thiophen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one
CID 3239870

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The IUPAC name of (2R)-2-(4-ethylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one (CID 777827) is (2R)-2-(4-ethylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one.
What is the SMILES notation for (2R)-2-(4-ethylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The canonical SMILES for (2R)-2-(4-ethylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one is CCc1ccc([C@@H]2NC(=O)c3ccccc3O2)cc1.
What is the InChIKey of (2R)-2-(4-ethylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The InChIKey is FNBYVTLFGYBTNZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-11-7-9-12(10-8-11)16-17-15(18)13-5-3-4-6-14(13)19-16/h3-10,16H,2H2,1H3,(H,17,18)/t16-/m1/s1.
What are the key properties of (2R)-2-(4-ethylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
(2R)-2-(4-ethylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one has a molecular weight of 253.30 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one is sourced from PubChem (CID 777827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).