4-chloro-2-(cyclopropylmethoxyiminomethyl)phenol

C11H12ClNO2 — CID 136832239

IUPAC4-chloro-2-(cyclopropylmethoxyiminomethyl)phenol
SMILESOc1ccc(Cl)cc1C=NOCC1CC1
InChIInChI=1S/C11H12ClNO2/c12-10-3-4-11(14)9(5-10)6-13-15-7-8-1-2-8/h3-6,8,14H,1-2,7H2
InChIKeyUUOHJBPQWKELQL-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.81
Rot. Bonds4

About 4-chloro-2-(cyclopropylmethoxyiminomethyl)phenol

4-chloro-2-(cyclopropylmethoxyiminomethyl)phenol (PubChem CID 136832239) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is 4-chloro-2-(cyclopropylmethoxyiminomethyl)phenol.

Molecular Properties

Compound Name4-chloro-2-(cyclopropylmethoxyiminomethyl)phenol
PubChem CID136832239
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name4-chloro-2-(cyclopropylmethoxyiminomethyl)phenol
SMILESOc1ccc(Cl)cc1C=NOCC1CC1
InChIInChI=1S/C11H12ClNO2/c12-10-3-4-11(14)9(5-10)6-13-15-7-8-1-2-8/h3-6,8,14H,1-2,7H2
InChIKeyUUOHJBPQWKELQL-UHFFFAOYSA-N
XLogP2.81
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclopropylmethoxyiminomethyl)phenol?
The IUPAC name of 4-chloro-2-(cyclopropylmethoxyiminomethyl)phenol (CID 136832239) is 4-chloro-2-(cyclopropylmethoxyiminomethyl)phenol.
What is the SMILES notation for 4-chloro-2-(cyclopropylmethoxyiminomethyl)phenol?
The canonical SMILES for 4-chloro-2-(cyclopropylmethoxyiminomethyl)phenol is Oc1ccc(Cl)cc1C=NOCC1CC1.
What is the InChIKey of 4-chloro-2-(cyclopropylmethoxyiminomethyl)phenol?
The InChIKey is UUOHJBPQWKELQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-10-3-4-11(14)9(5-10)6-13-15-7-8-1-2-8/h3-6,8,14H,1-2,7H2.
What are the key properties of 4-chloro-2-(cyclopropylmethoxyiminomethyl)phenol?
4-chloro-2-(cyclopropylmethoxyiminomethyl)phenol has a molecular weight of 225.68 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclopropylmethoxyiminomethyl)phenol is sourced from PubChem (CID 136832239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).