2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-5-hydroxybenzoic acid

C16H15NO4 — CID 117220789

IUPAC2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-5-hydroxybenzoic acid
SMILESO=C(O)c1cc(O)ccc1CN1CCOc2ccccc21
InChIInChI=1S/C16H15NO4/c18-12-6-5-11(13(9-12)16(19)20)10-17-7-8-21-15-4-2-1-3-14(15)17/h1-6,9,18H,7-8,10H2,(H,19,20)
InChIKeySOKAQKZWLDYJDW-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.49
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-5-hydroxybenzoic acid

2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-5-hydroxybenzoic acid (PubChem CID 117220789) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-5-hydroxybenzoic acid
PubChem CID117220789
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-5-hydroxybenzoic acid
SMILESO=C(O)c1cc(O)ccc1CN1CCOc2ccccc21
InChIInChI=1S/C16H15NO4/c18-12-6-5-11(13(9-12)16(19)20)10-17-7-8-21-15-4-2-1-3-14(15)17/h1-6,9,18H,7-8,10H2,(H,19,20)
InChIKeySOKAQKZWLDYJDW-UHFFFAOYSA-N
XLogP2.49
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)benzoic acid
CID 117219287
[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methanamine
CID 119054381
2-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenoxy]acetamide
CID 39746115
4-(2,3-dihydro-1,4-benzoxazin-4-yl)butanoic acid
CID 119134717
1-(azepan-1-yl)-2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 110754927
4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-1,2-thiazol-5-amine
CID 117216388
4-benzyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid
CID 82379365
3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(2,5-dihydroxyphenyl)methanone
CID 107723594
4-[(2-phenylmethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
CID 89444618
N-hydroxy-4-[(2-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 126645914
3-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)aniline
CID 119030808
4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-2-(trifluoromethyl)phenol
CID 117219963

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-5-hydroxybenzoic acid?
The IUPAC name of 2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-5-hydroxybenzoic acid (CID 117220789) is 2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-5-hydroxybenzoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-5-hydroxybenzoic acid?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-5-hydroxybenzoic acid is O=C(O)c1cc(O)ccc1CN1CCOc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-5-hydroxybenzoic acid?
The InChIKey is SOKAQKZWLDYJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-12-6-5-11(13(9-12)16(19)20)10-17-7-8-21-15-4-2-1-3-14(15)17/h1-6,9,18H,7-8,10H2,(H,19,20).
What are the key properties of 2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-5-hydroxybenzoic acid?
2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-5-hydroxybenzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-5-hydroxybenzoic acid is sourced from PubChem (CID 117220789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).