3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enamide

C10H10BrNO3 — CID 169482902

IUPAC3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(Br)c(C=CC(N)=O)cc1O
InChIInChI=1S/C10H10BrNO3/c1-15-9-5-7(11)6(4-8(9)13)2-3-10(12)14/h2-5,13H,1H3,(H2,12,14)
InChIKeyNPELYZSJSRCVIU-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.66
Rot. Bonds3

About 3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enamide

3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enamide (PubChem CID 169482902) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is 3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enamide
PubChem CID169482902
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(Br)c(C=CC(N)=O)cc1O
InChIInChI=1S/C10H10BrNO3/c1-15-9-5-7(11)6(4-8(9)13)2-3-10(12)14/h2-5,13H,1H3,(H2,12,14)
InChIKeyNPELYZSJSRCVIU-UHFFFAOYSA-N
XLogP1.66
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid
CID 735828
3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enehydrazide
CID 131848176
(E)-3-(2-bromo-5-hydroxy-4-methoxyphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
CID 7515461
2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine
CID 168590552
3-(2-bromo-4-hydroxy-5-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)prop-2-en-1-one
CID 76871381
(E)-3-(2-bromo-4,5-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 142752529
(E)-3-(4-bromo-3,5-dimethoxyphenyl)prop-2-enamide
CID 170876558
(E)-1,3-bis(2-bromo-4,5-dimethoxyphenyl)prop-2-en-1-one
CID 6000582
3-(2-bromo-4-hydroxy-5-methoxyphenyl)-1-(5-chloro-2,4-dimethoxyphenyl)prop-2-en-1-one
CID 76871272
tert-butyl N-[3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enyl]carbamate
CID 169468785
1-[4-[(E)-3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enoyl]phenyl]-3-propan-2-ylurea
CID 43071491
4-[(E)-3-(2-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoyl]benzonitrile
CID 60593948

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enamide?
The IUPAC name of 3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enamide (CID 169482902) is 3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enamide is COc1cc(Br)c(C=CC(N)=O)cc1O.
What is the InChIKey of 3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enamide?
The InChIKey is NPELYZSJSRCVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c1-15-9-5-7(11)6(4-8(9)13)2-3-10(12)14/h2-5,13H,1H3,(H2,12,14).
What are the key properties of 3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enamide?
3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enamide has a molecular weight of 272.10 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 169482902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).