4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol

C14H21NO3 — CID 76917502

IUPAC4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol
SMILESCC(CCc1ccc(OCCCCO)cc1)=NO
InChIInChI=1S/C14H21NO3/c1-12(15-17)4-5-13-6-8-14(9-7-13)18-11-3-2-10-16/h6-9,16-17H,2-5,10-11H2,1H3
InChIKeyDDKNGNXYNKZCOY-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.62
Rot. Bonds8

About 4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol

4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol (PubChem CID 76917502) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol.

Molecular Properties

Compound Name4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol
PubChem CID76917502
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol
SMILESCC(CCc1ccc(OCCCCO)cc1)=NO
InChIInChI=1S/C14H21NO3/c1-12(15-17)4-5-13-6-8-14(9-7-13)18-11-3-2-10-16/h6-9,16-17H,2-5,10-11H2,1H3
InChIKeyDDKNGNXYNKZCOY-UHFFFAOYSA-N
XLogP2.62
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.62
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

(NE)-N-[4-[4-(3-methoxypropoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 54936027
(NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 83159110
(NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine
CID 24707329
N-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 76905275
4-[4-(3-hydroxyiminobutyl)phenoxy]-2,2-dimethylbutanenitrile
CID 77062862
5-(4-butylphenoxy)pentan-1-ol
CID 113322723
3-[4-(3-hydroxyiminobutyl)phenoxy]-N-propan-2-ylpropanamide
CID 76947263
(NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine
CID 21296282
2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]propan-1-ol
CID 114266726
N-butyl-2-[4-(3-hydroxyiminobutyl)phenoxy]acetamide
CID 76905080
2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-propan-2-ylacetamide
CID 24708762
N-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide
CID 43309750

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol?
The IUPAC name of 4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol (CID 76917502) is 4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol.
What is the SMILES notation for 4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol?
The canonical SMILES for 4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol is CC(CCc1ccc(OCCCCO)cc1)=NO.
What is the InChIKey of 4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol?
The InChIKey is DDKNGNXYNKZCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-12(15-17)4-5-13-6-8-14(9-7-13)18-11-3-2-10-16/h6-9,16-17H,2-5,10-11H2,1H3.
What are the key properties of 4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol?
4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol is sourced from PubChem (CID 76917502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).