5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol

C14H21NO3 — CID 77003699

IUPAC5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol
SMILESCC(=NO)c1ccc(C)cc1OCCCCCO
InChIInChI=1S/C14H21NO3/c1-11-6-7-13(12(2)15-17)14(10-11)18-9-5-3-4-8-16/h6-7,10,16-17H,3-5,8-9H2,1-2H3
InChIKeyDXGFCNOJFQFFBK-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.73
Rot. Bonds7

About 5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol

5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol (PubChem CID 77003699) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol
PubChem CID77003699
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol
SMILESCC(=NO)c1ccc(C)cc1OCCCCCO
InChIInChI=1S/C14H21NO3/c1-11-6-7-13(12(2)15-17)14(10-11)18-9-5-3-4-8-16/h6-7,10,16-17H,3-5,8-9H2,1-2H3
InChIKeyDXGFCNOJFQFFBK-UHFFFAOYSA-N
XLogP2.73
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenoxy]pentan-1-ol
CID 82001458
3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propan-1-ol
CID 98511673
(NE)-N-[1-[2-(3-ethylsulfanylpropoxy)-4-methylphenyl]ethylidene]hydroxylamine
CID 113473665
N-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine
CID 77003544
2-(5-hydroxypentoxy)-4-methylbenzenecarbothioamide
CID 114216688
(NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 98298024
3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide
CID 77003549
1-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylphenoxy]-2-methylpropan-2-ol
CID 55245338
(NE)-N-[1-[4-methyl-2-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
CID 106725537
N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide
CID 76999670
N-[1-[2-[(4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 77003503
(NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine
CID 103003106

Frequently Asked Questions

What is the IUPAC name of 5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol?
The IUPAC name of 5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol (CID 77003699) is 5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol.
What is the SMILES notation for 5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol?
The canonical SMILES for 5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol is CC(=NO)c1ccc(C)cc1OCCCCCO.
What is the InChIKey of 5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol?
The InChIKey is DXGFCNOJFQFFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11-6-7-13(12(2)15-17)14(10-11)18-9-5-3-4-8-16/h6-7,10,16-17H,3-5,8-9H2,1-2H3.
What are the key properties of 5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol?
5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol is sourced from PubChem (CID 77003699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).