4-[(2-phenylmethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid

C23H21NO4 — CID 89444618

IUPAC4-[(2-phenylmethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
SMILESO=C(O)c1cccc2c1OCCN2Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C23H21NO4/c25-23(26)19-10-6-11-20-22(19)27-14-13-24(20)15-18-9-4-5-12-21(18)28-16-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,25,26)
InChIKeyNUOXEPXOTXJNSS-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.36
Rot. Bonds6

About 4-[(2-phenylmethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid

4-[(2-phenylmethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid (PubChem CID 89444618) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 4-[(2-phenylmethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid.

Molecular Properties

Compound Name4-[(2-phenylmethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
PubChem CID89444618
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name4-[(2-phenylmethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
SMILESO=C(O)c1cccc2c1OCCN2Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C23H21NO4/c25-23(26)19-10-6-11-20-22(19)27-14-13-24(20)15-18-9-4-5-12-21(18)28-16-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,25,26)
InChIKeyNUOXEPXOTXJNSS-UHFFFAOYSA-N
XLogP4.36
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2-phenylmethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid 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

4-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
CID 89444570
2-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenoxy]acetamide
CID 39746115
sodium 4-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylate
CID 129068815
2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-5-hydroxybenzoic acid
CID 117220789
2-phenyl-3-phenylmethoxybenzoic acid
CID 174811177
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
[4-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-2,3-dihydro-1,4-benzoxazin-8-yl] hydrogen carbonate
CID 129068981
3-bromo-2-[2-(2-phenylmethoxyphenyl)ethyl]benzoic acid
CID 67659367
(4S)-8-phenylmethoxy-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 99499848
3-hydroxy-2-phenylmethoxybenzoic acid
CID 67658329
2,3-dihydroindol-1-yl-(2-phenylmethoxyphenyl)methanone
CID 4946349
2-[(2-benzylphenyl)methoxy]benzoic acid
CID 22362973

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylmethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid?
The IUPAC name of 4-[(2-phenylmethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid (CID 89444618) is 4-[(2-phenylmethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid.
What is the SMILES notation for 4-[(2-phenylmethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid?
The canonical SMILES for 4-[(2-phenylmethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid is O=C(O)c1cccc2c1OCCN2Cc1ccccc1OCc1ccccc1.
What is the InChIKey of 4-[(2-phenylmethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid?
The InChIKey is NUOXEPXOTXJNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c25-23(26)19-10-6-11-20-22(19)27-14-13-24(20)15-18-9-4-5-12-21(18)28-16-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,25,26).
What are the key properties of 4-[(2-phenylmethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid?
4-[(2-phenylmethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid has a molecular weight of 375.42 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylmethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid is sourced from PubChem (CID 89444618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).