(Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide

C10H10ClNO2 — CID 131497818

IUPAC(Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide
SMILESCc1cc(Cl)c(O)c(/C=C\C(N)=O)c1
InChIInChI=1S/C10H10ClNO2/c1-6-4-7(2-3-9(12)13)10(14)8(11)5-6/h2-5,14H,1H3,(H2,12,13)/b3-2-
InChIKeyJSIIAEQSCGZMEE-IHWYPQMZSA-N
MW211.65 g/mol
LogP1.85
Rot. Bonds2

About (Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide

(Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide (PubChem CID 131497818) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is (Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide
PubChem CID131497818
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name(Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide
SMILESCc1cc(Cl)c(O)c(/C=C\C(N)=O)c1
InChIInChI=1S/C10H10ClNO2/c1-6-4-7(2-3-9(12)13)10(14)8(11)5-6/h2-5,14H,1H3,(H2,12,13)/b3-2-
InChIKeyJSIIAEQSCGZMEE-IHWYPQMZSA-N
XLogP1.85
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.85
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-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide
CID 131233134
3-(2-amino-5-methylphenyl)prop-2-enamide
CID 169481556
3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide
CID 169481644
(E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide
CID 131238888
2-chloro-6-methanimidoyl-4-methylphenol
CID 143431027
(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)-3-(3,4,5-tribromo-2-hydroxyphenyl)prop-2-enamide
CID 131551507
3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide
CID 169482171
(E)-3-(2-amino-5-bromophenyl)prop-2-enamide
CID 129410638
(E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide
CID 131243997
(E)-3-(2-chloro-5-methylphenyl)prop-2-enoic acid
CID 21495548

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide (CID 131497818) is (Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide is Cc1cc(Cl)c(O)c(/C=C\C(N)=O)c1.
What is the InChIKey of (Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide?
The InChIKey is JSIIAEQSCGZMEE-IHWYPQMZSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-6-4-7(2-3-9(12)13)10(14)8(11)5-6/h2-5,14H,1H3,(H2,12,13)/b3-2-.
What are the key properties of (Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide?
(Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide has a molecular weight of 211.65 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide is sourced from PubChem (CID 131497818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).