4-ethyl-6-(hydroxymethyl)-2-methyl-8-phenylmethoxy-1,4-benzoxazin-3-one

C19H21NO4 — CID 82156068

IUPAC4-ethyl-6-(hydroxymethyl)-2-methyl-8-phenylmethoxy-1,4-benzoxazin-3-one
SMILESCCN1C(=O)C(C)Oc2c(OCc3ccccc3)cc(CO)cc21
InChIInChI=1S/C19H21NO4/c1-3-20-16-9-15(11-21)10-17(18(16)24-13(2)19(20)22)23-12-14-7-5-4-6-8-14/h4-10,13,21H,3,11-12H2,1-2H3
InChIKeyVZTRQFQYDUPSDC-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.89
Rot. Bonds5

About 4-ethyl-6-(hydroxymethyl)-2-methyl-8-phenylmethoxy-1,4-benzoxazin-3-one

4-ethyl-6-(hydroxymethyl)-2-methyl-8-phenylmethoxy-1,4-benzoxazin-3-one (PubChem CID 82156068) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-ethyl-6-(hydroxymethyl)-2-methyl-8-phenylmethoxy-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-ethyl-6-(hydroxymethyl)-2-methyl-8-phenylmethoxy-1,4-benzoxazin-3-one
PubChem CID82156068
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name4-ethyl-6-(hydroxymethyl)-2-methyl-8-phenylmethoxy-1,4-benzoxazin-3-one
SMILESCCN1C(=O)C(C)Oc2c(OCc3ccccc3)cc(CO)cc21
InChIInChI=1S/C19H21NO4/c1-3-20-16-9-15(11-21)10-17(18(16)24-13(2)19(20)22)23-12-14-7-5-4-6-8-14/h4-10,13,21H,3,11-12H2,1-2H3
InChIKeyVZTRQFQYDUPSDC-UHFFFAOYSA-N
XLogP2.89
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-6-(hydroxymethyl)-2-methyl-8-phenylmethoxy-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-diethyl-6-(hydroxymethyl)-8-phenylmethoxy-4H-1,4-benzoxazin-3-one
CID 82154112
(7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol
CID 91828142
(4-phenylmethoxyphenyl) 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 16572660
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
2-methyl-3-oxo-8-propoxy-4-prop-2-ynyl-1,4-benzoxazine-6-carbaldehyde
CID 82156013
4-(2-hydroxyethyl)-3-oxo-8-phenylmethoxy-1,4-benzoxazine-6-carbaldehyde
CID 82156073
[3-bromo-4,5-bis(phenylmethoxy)phenyl]methanol
CID 10431016
(4-chloro-3-phenylmethoxyphenyl)methanol
CID 66724752
(3-chloro-4-fluoro-5-phenylmethoxyphenyl)methanol
CID 164895501
2,4-dimethyl-6-[2-(4-phenylmethoxyindol-1-yl)acetyl]-1,4-benzoxazin-3-one
CID 84571768
2-[6-(hydroxymethyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 82338257
2-[3,4-bis(phenylmethoxy)phenyl]-N-(1,2-diethylpyrazolidin-4-yl)acetamide
CID 139707195

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(hydroxymethyl)-2-methyl-8-phenylmethoxy-1,4-benzoxazin-3-one?
The IUPAC name of 4-ethyl-6-(hydroxymethyl)-2-methyl-8-phenylmethoxy-1,4-benzoxazin-3-one (CID 82156068) is 4-ethyl-6-(hydroxymethyl)-2-methyl-8-phenylmethoxy-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-ethyl-6-(hydroxymethyl)-2-methyl-8-phenylmethoxy-1,4-benzoxazin-3-one?
The canonical SMILES for 4-ethyl-6-(hydroxymethyl)-2-methyl-8-phenylmethoxy-1,4-benzoxazin-3-one is CCN1C(=O)C(C)Oc2c(OCc3ccccc3)cc(CO)cc21.
What is the InChIKey of 4-ethyl-6-(hydroxymethyl)-2-methyl-8-phenylmethoxy-1,4-benzoxazin-3-one?
The InChIKey is VZTRQFQYDUPSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-20-16-9-15(11-21)10-17(18(16)24-13(2)19(20)22)23-12-14-7-5-4-6-8-14/h4-10,13,21H,3,11-12H2,1-2H3.
What are the key properties of 4-ethyl-6-(hydroxymethyl)-2-methyl-8-phenylmethoxy-1,4-benzoxazin-3-one?
4-ethyl-6-(hydroxymethyl)-2-methyl-8-phenylmethoxy-1,4-benzoxazin-3-one has a molecular weight of 327.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(hydroxymethyl)-2-methyl-8-phenylmethoxy-1,4-benzoxazin-3-one is sourced from PubChem (CID 82156068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).