2-[(2-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol

C18H21NO3 — CID 82229534

IUPAC2-[(2-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol
SMILESCCOc1ccccc1CC1CN(C)c2ccc(O)cc2O1
InChIInChI=1S/C18H21NO3/c1-3-21-17-7-5-4-6-13(17)10-15-12-19(2)16-9-8-14(20)11-18(16)22-15/h4-9,11,15,20H,3,10,12H2,1-2H3
InChIKeyUKFHSADOIFTLLO-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.23
Rot. Bonds4

About 2-[(2-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol

2-[(2-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol (PubChem CID 82229534) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol
PubChem CID82229534
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-[(2-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol
SMILESCCOc1ccccc1CC1CN(C)c2ccc(O)cc2O1
InChIInChI=1S/C18H21NO3/c1-3-21-17-7-5-4-6-13(17)10-15-12-19(2)16-9-8-14(20)11-18(16)22-15/h4-9,11,15,20H,3,10,12H2,1-2H3
InChIKeyUKFHSADOIFTLLO-UHFFFAOYSA-N
XLogP3.23
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol 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-[(2,3-dimethylphenyl)methyl]-4-ethyl-2,3-dihydro-1,4-benzoxazin-7-ol
CID 82229483
2-[(2-propan-2-ylphenyl)methyl]-4-prop-2-enyl-2,3-dihydro-1,4-benzoxazin-7-ol
CID 82229432
4-methyl-2-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-6-ol
CID 82229519
(2R)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine
CID 58740905
(2S)-2-(methoxymethyl)-4,7-dimethyl-2,3-dihydro-1,4-benzoxazine;sulfane
CID 158856728
(Z)-2-ethoxy-3-[4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methoxy]phenyl]prop-2-enal
CID 89293005
2-[(2-ethylphenyl)methyl]-6-hydroxy-4-methyl-1,4-benzoxazin-3-one
CID 82229238
2,5-dimethyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl chloride
CID 86609831
1-[2-[(2-ethyl-4-hydroxyphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
CID 90266775
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(2-ethoxyphenyl)methyl]methanamine
CID 78804473
6-hydroxy-4-methyl-2-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one
CID 82229249
1-[2-(2-ethoxyphenyl)ethyl]piperidine
CID 21117435

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol?
The IUPAC name of 2-[(2-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol (CID 82229534) is 2-[(2-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol?
The canonical SMILES for 2-[(2-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol is CCOc1ccccc1CC1CN(C)c2ccc(O)cc2O1.
What is the InChIKey of 2-[(2-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol?
The InChIKey is UKFHSADOIFTLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-21-17-7-5-4-6-13(17)10-15-12-19(2)16-9-8-14(20)11-18(16)22-15/h4-9,11,15,20H,3,10,12H2,1-2H3.
What are the key properties of 2-[(2-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol?
2-[(2-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol has a molecular weight of 299.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol is sourced from PubChem (CID 82229534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).