5-benzyl-1-ethyl-6-hydroxyiminocyclohexa-2,4-dien-1-ol

C15H17NO2 — CID 142633098

IUPAC5-benzyl-1-ethyl-6-hydroxyiminocyclohexa-2,4-dien-1-ol
SMILESCCC1(O)C=CC=C(Cc2ccccc2)C1=NO
InChIInChI=1S/C15H17NO2/c1-2-15(17)10-6-9-13(14(15)16-18)11-12-7-4-3-5-8-12/h3-10,17-18H,2,11H2,1H3
InChIKeyFRCGBTYLDXDHOY-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.70
Rot. Bonds3

About 5-benzyl-1-ethyl-6-hydroxyiminocyclohexa-2,4-dien-1-ol

5-benzyl-1-ethyl-6-hydroxyiminocyclohexa-2,4-dien-1-ol (PubChem CID 142633098) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-benzyl-1-ethyl-6-hydroxyiminocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5-benzyl-1-ethyl-6-hydroxyiminocyclohexa-2,4-dien-1-ol
PubChem CID142633098
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name5-benzyl-1-ethyl-6-hydroxyiminocyclohexa-2,4-dien-1-ol
SMILESCCC1(O)C=CC=C(Cc2ccccc2)C1=NO
InChIInChI=1S/C15H17NO2/c1-2-15(17)10-6-9-13(14(15)16-18)11-12-7-4-3-5-8-12/h3-10,17-18H,2,11H2,1H3
InChIKeyFRCGBTYLDXDHOY-UHFFFAOYSA-N
XLogP2.70
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5,5-dimethylcyclopenta-1,3-dien-1-yl)methylbenzene
CID 159527718
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1-benzyl-4-ethylbenzene;methane
CID 144571765
phenyl(113C)methylbenzene
CID 11194569
1-benzyl-4-(2-methylbutan-2-yl)benzene
CID 54402390
3-benzyl-6-methylpyridazine
CID 89117444
2-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-ol
CID 174271092
1-benzyl-2,4-diethylbenzene
CID 139691839
(1Z)-2-(4-benzylphenyl)-N-hydroxyethanimidoyl chloride
CID 58076264
ethylbenzene;propane;hydroiodide
CID 142182216
benzylbenzene;ethane;methanamine
CID 54117827

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-ethyl-6-hydroxyiminocyclohexa-2,4-dien-1-ol?
The IUPAC name of 5-benzyl-1-ethyl-6-hydroxyiminocyclohexa-2,4-dien-1-ol (CID 142633098) is 5-benzyl-1-ethyl-6-hydroxyiminocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 5-benzyl-1-ethyl-6-hydroxyiminocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 5-benzyl-1-ethyl-6-hydroxyiminocyclohexa-2,4-dien-1-ol is CCC1(O)C=CC=C(Cc2ccccc2)C1=NO.
What is the InChIKey of 5-benzyl-1-ethyl-6-hydroxyiminocyclohexa-2,4-dien-1-ol?
The InChIKey is FRCGBTYLDXDHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-15(17)10-6-9-13(14(15)16-18)11-12-7-4-3-5-8-12/h3-10,17-18H,2,11H2,1H3.
What are the key properties of 5-benzyl-1-ethyl-6-hydroxyiminocyclohexa-2,4-dien-1-ol?
5-benzyl-1-ethyl-6-hydroxyiminocyclohexa-2,4-dien-1-ol has a molecular weight of 243.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-ethyl-6-hydroxyiminocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 142633098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).