(E)-3-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide

C10H10BrNO2 — CID 131233134

IUPAC(E)-3-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide
SMILESCc1cc(Br)cc(/C=C/C(N)=O)c1O
InChIInChI=1S/C10H10BrNO2/c1-6-4-8(11)5-7(10(6)14)2-3-9(12)13/h2-5,14H,1H3,(H2,12,13)/b3-2+
InChIKeyXGFIMTCRIZUJEK-NSCUHMNNSA-N
MW256.10 g/mol
LogP1.96
Rot. Bonds2

About (E)-3-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide

(E)-3-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide (PubChem CID 131233134) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is (E)-3-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide
PubChem CID131233134
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name(E)-3-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide
SMILESCc1cc(Br)cc(/C=C/C(N)=O)c1O
InChIInChI=1S/C10H10BrNO2/c1-6-4-8(11)5-7(10(6)14)2-3-9(12)13/h2-5,14H,1H3,(H2,12,13)/b3-2+
InChIKeyXGFIMTCRIZUJEK-NSCUHMNNSA-N
XLogP1.96
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide
CID 131238888
5-bromo-2-hydroxy-3-methylbenzaldehyde
CID 2757016
(Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide
CID 131497818
(E)-3-(3,4,5-tribromo-2-hydroxyphenyl)prop-2-enamide
CID 131551507
(E)-3-(2-amino-5-bromophenyl)prop-2-enamide
CID 129410638
3-(3,5-dibromophenyl)prop-2-enamide
CID 169482889
ethyl 3-(5-bromo-3-fluoro-2-hydroxyphenyl)prop-2-enoate
CID 169481245
(Z)-3-(2-hydroxy-3,4-dimethyl-5-nitrophenyl)prop-2-enamide
CID 170877724
(Z)-3-(3,5-ditert-butyl-2-hydroxyphenyl)prop-2-enamide
CID 170876665
(E)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)but-3-en-2-one
CID 14509484
(E)-3-(5-bromo-2-methoxy-3-methylphenyl)prop-2-enoic acid
CID 112621467
3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 169482902

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide (CID 131233134) is (E)-3-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide is Cc1cc(Br)cc(/C=C/C(N)=O)c1O.
What is the InChIKey of (E)-3-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide?
The InChIKey is XGFIMTCRIZUJEK-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-6-4-8(11)5-7(10(6)14)2-3-9(12)13/h2-5,14H,1H3,(H2,12,13)/b3-2+.
What are the key properties of (E)-3-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide?
(E)-3-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide has a molecular weight of 256.10 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 131233134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).