(E)-3-[4-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]phenyl]prop-2-enoic acid

C17H15NO5 — CID 134394619

IUPAC(E)-3-[4-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(-c2ccc(OCC(=O)NO)cc2)cc1
InChIInChI=1S/C17H15NO5/c19-16(18-22)11-23-15-8-6-14(7-9-15)13-4-1-12(2-5-13)3-10-17(20)21/h1-10,22H,11H2,(H,18,19)(H,20,21)/b10-3+
InChIKeyDYPAAMYAWMFDNA-XCVCLJGOSA-N
MW313.31 g/mol
LogP2.34
Rot. Bonds6

About (E)-3-[4-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]phenyl]prop-2-enoic acid

(E)-3-[4-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]phenyl]prop-2-enoic acid (PubChem CID 134394619) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is (E)-3-[4-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]phenyl]prop-2-enoic acid
PubChem CID134394619
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name(E)-3-[4-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(-c2ccc(OCC(=O)NO)cc2)cc1
InChIInChI=1S/C17H15NO5/c19-16(18-22)11-23-15-8-6-14(7-9-15)13-4-1-12(2-5-13)3-10-17(20)21/h1-10,22H,11H2,(H,18,19)(H,20,21)/b10-3+
InChIKeyDYPAAMYAWMFDNA-XCVCLJGOSA-N
XLogP2.34
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 29017777
(E)-3-[4-[2-(cyanomethylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 29017763
3-[4-[2-oxo-2-(pentan-3-ylamino)ethoxy]phenyl]prop-2-enoic acid
CID 76905164
3-[4-(4-propoxyphenyl)phenyl]prop-2-enoic acid
CID 67745559
1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid
CID 175052952
3-(4-ethoxyphenyl)prop-2-enoic acid;hydrochloride
CID 70257337
4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]but-2-enoic acid
CID 3272793
3-[4-(2-oxo-2-propan-2-yloxyethoxy)phenyl]prop-2-enoic acid
CID 53395726
N-hydroxy-2-(4-hydroxyphenoxy)acetamide
CID 130033325
3-[4-[4-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 70242654
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
1,1'-biphenyl;3-[4-(6-hydroxyhexoxy)phenyl]prop-2-enoic acid
CID 175055126

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[4-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]phenyl]prop-2-enoic acid (CID 134394619) is (E)-3-[4-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]phenyl]prop-2-enoic acid is O=C(O)/C=C/c1ccc(-c2ccc(OCC(=O)NO)cc2)cc1.
What is the InChIKey of (E)-3-[4-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]phenyl]prop-2-enoic acid?
The InChIKey is DYPAAMYAWMFDNA-XCVCLJGOSA-N. The full InChI is InChI=1S/C17H15NO5/c19-16(18-22)11-23-15-8-6-14(7-9-15)13-4-1-12(2-5-13)3-10-17(20)21/h1-10,22H,11H2,(H,18,19)(H,20,21)/b10-3+.
What are the key properties of (E)-3-[4-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]phenyl]prop-2-enoic acid?
(E)-3-[4-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]phenyl]prop-2-enoic acid has a molecular weight of 313.31 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]phenyl]prop-2-enoic acid is sourced from PubChem (CID 134394619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).