3-[(Z)-2-(2,4-dimethoxyphenyl)-2-hydroxyethenyl]-6-methyl-1,4-benzoxazin-2-one

C19H17NO5 — CID 135637190

IUPAC3-[(Z)-2-(2,4-dimethoxyphenyl)-2-hydroxyethenyl]-6-methyl-1,4-benzoxazin-2-one
SMILESCOc1ccc(/C(O)=C/c2nc3cc(C)ccc3oc2=O)c(OC)c1
InChIInChI=1S/C19H17NO5/c1-11-4-7-17-14(8-11)20-15(19(22)25-17)10-16(21)13-6-5-12(23-2)9-18(13)24-3/h4-10,21H,1-3H3/b16-10-
InChIKeyPEQWWWOBTHKOPT-YBEGLDIGSA-N
MW339.35 g/mol
LogP3.57
Rot. Bonds4

About 3-[(Z)-2-(2,4-dimethoxyphenyl)-2-hydroxyethenyl]-6-methyl-1,4-benzoxazin-2-one

3-[(Z)-2-(2,4-dimethoxyphenyl)-2-hydroxyethenyl]-6-methyl-1,4-benzoxazin-2-one (PubChem CID 135637190) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3-[(Z)-2-(2,4-dimethoxyphenyl)-2-hydroxyethenyl]-6-methyl-1,4-benzoxazin-2-one.

Molecular Properties

Compound Name3-[(Z)-2-(2,4-dimethoxyphenyl)-2-hydroxyethenyl]-6-methyl-1,4-benzoxazin-2-one
PubChem CID135637190
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name3-[(Z)-2-(2,4-dimethoxyphenyl)-2-hydroxyethenyl]-6-methyl-1,4-benzoxazin-2-one
SMILESCOc1ccc(/C(O)=C/c2nc3cc(C)ccc3oc2=O)c(OC)c1
InChIInChI=1S/C19H17NO5/c1-11-4-7-17-14(8-11)20-15(19(22)25-17)10-16(21)13-6-5-12(23-2)9-18(13)24-3/h4-10,21H,1-3H3/b16-10-
InChIKeyPEQWWWOBTHKOPT-YBEGLDIGSA-N
XLogP3.57
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydroxy-2-phenylethenyl)-6-methyl-1,4-benzoxazin-2-one
CID 705110
6-chloro-3-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-1,4-benzoxazin-2-one
CID 135451186
3-[2-(4-ethylphenyl)-2-hydroxyethenyl]-6-methyl-1,4-benzoxazin-2-one
CID 136882685
3-[(Z)-2-(3-bromophenyl)-2-hydroxyethenyl]-6-methyl-1,4-benzoxazin-2-one
CID 135473951
6-ethylsulfonyl-3-[(Z)-2-hydroxy-2-(3-methoxyphenyl)ethenyl]-1,4-benzoxazin-2-one
CID 135469993
2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 91684024
3-[(Z)-2-hydroxyprop-1-enyl]-7-methyl-1,4-benzoxazin-2-one
CID 135815350
N-[(2,5-difluorophenyl)methyl]-2,4-dimethoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide
CID 46099634
10-methoxy-2-methylnaphtho[2,3-c]chromen-6-one
CID 15262080
N-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide
CID 100794447
6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 69110989
5-methoxy-2-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 115411925

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-(2,4-dimethoxyphenyl)-2-hydroxyethenyl]-6-methyl-1,4-benzoxazin-2-one?
The IUPAC name of 3-[(Z)-2-(2,4-dimethoxyphenyl)-2-hydroxyethenyl]-6-methyl-1,4-benzoxazin-2-one (CID 135637190) is 3-[(Z)-2-(2,4-dimethoxyphenyl)-2-hydroxyethenyl]-6-methyl-1,4-benzoxazin-2-one.
What is the SMILES notation for 3-[(Z)-2-(2,4-dimethoxyphenyl)-2-hydroxyethenyl]-6-methyl-1,4-benzoxazin-2-one?
The canonical SMILES for 3-[(Z)-2-(2,4-dimethoxyphenyl)-2-hydroxyethenyl]-6-methyl-1,4-benzoxazin-2-one is COc1ccc(/C(O)=C/c2nc3cc(C)ccc3oc2=O)c(OC)c1.
What is the InChIKey of 3-[(Z)-2-(2,4-dimethoxyphenyl)-2-hydroxyethenyl]-6-methyl-1,4-benzoxazin-2-one?
The InChIKey is PEQWWWOBTHKOPT-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H17NO5/c1-11-4-7-17-14(8-11)20-15(19(22)25-17)10-16(21)13-6-5-12(23-2)9-18(13)24-3/h4-10,21H,1-3H3/b16-10-.
What are the key properties of 3-[(Z)-2-(2,4-dimethoxyphenyl)-2-hydroxyethenyl]-6-methyl-1,4-benzoxazin-2-one?
3-[(Z)-2-(2,4-dimethoxyphenyl)-2-hydroxyethenyl]-6-methyl-1,4-benzoxazin-2-one has a molecular weight of 339.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-(2,4-dimethoxyphenyl)-2-hydroxyethenyl]-6-methyl-1,4-benzoxazin-2-one is sourced from PubChem (CID 135637190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).