2-[2-hydroxy-2-(2-phenylethenylamino)oxyethoxy]benzoic acid

C17H17NO5 — CID 90941772

IUPAC2-[2-hydroxy-2-(2-phenylethenylamino)oxyethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCC(O)ONC=Cc1ccccc1
InChIInChI=1S/C17H17NO5/c19-16(23-18-11-10-13-6-2-1-3-7-13)12-22-15-9-5-4-8-14(15)17(20)21/h1-11,16,18-19H,12H2,(H,20,21)
InChIKeyMEKVYFAUCLNBHU-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.27
Rot. Bonds8

About 2-[2-hydroxy-2-(2-phenylethenylamino)oxyethoxy]benzoic acid

2-[2-hydroxy-2-(2-phenylethenylamino)oxyethoxy]benzoic acid (PubChem CID 90941772) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[2-hydroxy-2-(2-phenylethenylamino)oxyethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-hydroxy-2-(2-phenylethenylamino)oxyethoxy]benzoic acid
PubChem CID90941772
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name2-[2-hydroxy-2-(2-phenylethenylamino)oxyethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCC(O)ONC=Cc1ccccc1
InChIInChI=1S/C17H17NO5/c19-16(23-18-11-10-13-6-2-1-3-7-13)12-22-15-9-5-4-8-14(15)17(20)21/h1-11,16,18-19H,12H2,(H,20,21)
InChIKeyMEKVYFAUCLNBHU-UHFFFAOYSA-N
XLogP2.27
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroxypropoxy)benzoic acid;hydrate
CID 141305923
2-(2-phenylethenoxy)benzoic acid
CID 67839973
2-(2-phenylethenylamino)benzoic acid
CID 69497392
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
2-(2,2,2-trifluoroethoxy)benzoic acid
CID 11528644
CID 70191473
CID 70191473
2-(3-carboxypropoxy)benzoic acid
CID 14661645
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
2-ethoxybenzoic acid;zinc
CID 172723273
2-(fluoromethoxy)benzoic acid;hydrochloride
CID 141112682
2-(2-methoxy-2-oxoethoxy)benzoic acid
CID 11218054
2-[11-[(2-methylpropan-2-yl)oxycarbonylamino]undecoxy]benzoic acid
CID 134353591

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-2-(2-phenylethenylamino)oxyethoxy]benzoic acid?
The IUPAC name of 2-[2-hydroxy-2-(2-phenylethenylamino)oxyethoxy]benzoic acid (CID 90941772) is 2-[2-hydroxy-2-(2-phenylethenylamino)oxyethoxy]benzoic acid.
What is the SMILES notation for 2-[2-hydroxy-2-(2-phenylethenylamino)oxyethoxy]benzoic acid?
The canonical SMILES for 2-[2-hydroxy-2-(2-phenylethenylamino)oxyethoxy]benzoic acid is O=C(O)c1ccccc1OCC(O)ONC=Cc1ccccc1.
What is the InChIKey of 2-[2-hydroxy-2-(2-phenylethenylamino)oxyethoxy]benzoic acid?
The InChIKey is MEKVYFAUCLNBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c19-16(23-18-11-10-13-6-2-1-3-7-13)12-22-15-9-5-4-8-14(15)17(20)21/h1-11,16,18-19H,12H2,(H,20,21).
What are the key properties of 2-[2-hydroxy-2-(2-phenylethenylamino)oxyethoxy]benzoic acid?
2-[2-hydroxy-2-(2-phenylethenylamino)oxyethoxy]benzoic acid has a molecular weight of 315.33 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-2-(2-phenylethenylamino)oxyethoxy]benzoic acid is sourced from PubChem (CID 90941772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).