4-chloro-5-methyl-2-[(E)-propoxyiminomethyl]phenol

C11H14ClNO2 — CID 135674639

IUPAC4-chloro-5-methyl-2-[(E)-propoxyiminomethyl]phenol
SMILESCCCO/N=C/c1cc(Cl)c(C)cc1O
InChIInChI=1S/C11H14ClNO2/c1-3-4-15-13-7-9-6-10(12)8(2)5-11(9)14/h5-7,14H,3-4H2,1-2H3/b13-7+
InChIKeyVNJYNWJOCOZACA-NTUHNPAUSA-N
MW227.69 g/mol
LogP3.11
Rot. Bonds4

About 4-chloro-5-methyl-2-[(E)-propoxyiminomethyl]phenol

4-chloro-5-methyl-2-[(E)-propoxyiminomethyl]phenol (PubChem CID 135674639) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-[(E)-propoxyiminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-5-methyl-2-[(E)-propoxyiminomethyl]phenol
PubChem CID135674639
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name4-chloro-5-methyl-2-[(E)-propoxyiminomethyl]phenol
SMILESCCCO/N=C/c1cc(Cl)c(C)cc1O
InChIInChI=1S/C11H14ClNO2/c1-3-4-15-13-7-9-6-10(12)8(2)5-11(9)14/h5-7,14H,3-4H2,1-2H3/b13-7+
InChIKeyVNJYNWJOCOZACA-NTUHNPAUSA-N
XLogP3.11
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane
CID 143926582
4-chloro-2-[(E)-ethoxyiminomethyl]phenol
CID 135674625
4-chloro-5-methylbenzene-1,2-diol
CID 23510503
propyl 3-[(E)-(2,4-dichlorophenyl)methylideneamino]oxypropanoate
CID 173365406
4-bromo-2-[(E)-hept-4-ynoxyiminomethyl]phenol
CID 137304156
(E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-propoxypentan-1-imine
CID 18430037
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 590757
5-(hydroxymethyl)-2-methyl-1-oxido-4-[(E)-propoxyiminomethyl]pyridin-1-ium-3-ol
CID 135697388
4-fluoro-2-[(E)-hept-4-ynoxyiminomethyl]phenol
CID 137304155
4,5-dimethyl-2-propoxyphenol
CID 82053946
4-bromo-2-[(E)-but-3-ynoxyiminomethyl]phenol
CID 137314174
ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate
CID 173365405

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-[(E)-propoxyiminomethyl]phenol?
The IUPAC name of 4-chloro-5-methyl-2-[(E)-propoxyiminomethyl]phenol (CID 135674639) is 4-chloro-5-methyl-2-[(E)-propoxyiminomethyl]phenol.
What is the SMILES notation for 4-chloro-5-methyl-2-[(E)-propoxyiminomethyl]phenol?
The canonical SMILES for 4-chloro-5-methyl-2-[(E)-propoxyiminomethyl]phenol is CCCO/N=C/c1cc(Cl)c(C)cc1O.
What is the InChIKey of 4-chloro-5-methyl-2-[(E)-propoxyiminomethyl]phenol?
The InChIKey is VNJYNWJOCOZACA-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-3-4-15-13-7-9-6-10(12)8(2)5-11(9)14/h5-7,14H,3-4H2,1-2H3/b13-7+.
What are the key properties of 4-chloro-5-methyl-2-[(E)-propoxyiminomethyl]phenol?
4-chloro-5-methyl-2-[(E)-propoxyiminomethyl]phenol has a molecular weight of 227.69 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-[(E)-propoxyiminomethyl]phenol is sourced from PubChem (CID 135674639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).