(E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid

C30H25NO6 — CID 159561023

IUPAC(E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid
SMILESO=C(/C=C/c1cccc(-c2ccc(O)cc2)c1)NO.O=C(O)/C=C/c1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C15H13NO3.C15H12O3/c17-14-7-5-12(6-8-14)13-3-1-2-11(10-13)4-9-15(18)16-19;16-14-7-5-12(6-8-14)13-3-1-2-11(10-13)4-9-15(17)18/h1-10,17,19H,(H,16,18);1-10,16H,(H,17,18)/b2*9-4+
InChIKeyMGPUVBDVZBRGJK-KPSBCRFLSA-N
MW495.53 g/mol
LogP5.73
Rot. Bonds6

About (E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid

(E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid (PubChem CID 159561023) has the molecular formula C30H25NO6 and a molecular weight of 495.53 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid
PubChem CID159561023
Molecular FormulaC30H25NO6
Molecular Weight495.53 g/mol
Exact Mass495.17
IUPAC Name(E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid
SMILESO=C(/C=C/c1cccc(-c2ccc(O)cc2)c1)NO.O=C(O)/C=C/c1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C15H13NO3.C15H12O3/c17-14-7-5-12(6-8-14)13-3-1-2-11(10-13)4-9-15(18)16-19;16-14-7-5-12(6-8-14)13-3-1-2-11(10-13)4-9-15(17)18/h1-10,17,19H,(H,16,18);1-10,16H,(H,17,18)/b2*9-4+
InChIKeyMGPUVBDVZBRGJK-KPSBCRFLSA-N
XLogP5.73
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.53
LogP ≤ 55.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid
CID 68584496
(E)-3-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid
CID 11161124
(E)-3-[3-(3-methylphenyl)phenyl]prop-2-enoic acid
CID 87253241
3-[3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]phenyl]prop-2-enoic acid
CID 68654469
(E)-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
CID 175665468
(E)-3-[3-[7-hydroxy-3-(4-hydroxyphenyl)-2H-thiochromen-4-yl]phenyl]prop-2-enoic acid
CID 23537933
(E)-3-[3-(4-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 57390960
tris(3-(4-hydroxyphenyl)prop-2-enoic acid);lanthanum
CID 153328544
bis((E)-3-phenylprop-2-enoic acid);zinc
CID 11291345
3-[4-(3-chloro-4-hydroxyphenyl)phenyl]-N-hydroxyprop-2-enamide
CID 73215251
2-[3-(3-phenylphenyl)prop-2-enoylamino]propanediamide
CID 76867493
(Z)-3-phenylprop-2-enoic acid
CID 5372954

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid (CID 159561023) is (E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid is O=C(/C=C/c1cccc(-c2ccc(O)cc2)c1)NO.O=C(O)/C=C/c1cccc(-c2ccc(O)cc2)c1.
What is the InChIKey of (E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid?
The InChIKey is MGPUVBDVZBRGJK-KPSBCRFLSA-N. The full InChI is InChI=1S/C15H13NO3.C15H12O3/c17-14-7-5-12(6-8-14)13-3-1-2-11(10-13)4-9-15(18)16-19;16-14-7-5-12(6-8-14)13-3-1-2-11(10-13)4-9-15(17)18/h1-10,17,19H,(H,16,18);1-10,16H,(H,17,18)/b2*9-4+.
What are the key properties of (E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid?
(E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid has a molecular weight of 495.53 g/mol, XLogP of 5.73, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 159561023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).