1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol

C14H19NO4 — CID 77067604

IUPAC1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol
SMILESCOCC(O)COc1cccc2c1CCCC2=NO
InChIInChI=1S/C14H19NO4/c1-18-8-10(16)9-19-14-7-3-4-11-12(14)5-2-6-13(11)15-17/h3-4,7,10,16-17H,2,5-6,8-9H2,1H3
InChIKeySFUZINYLNPUTDL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.59
Rot. Bonds5

About 1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol

1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol (PubChem CID 77067604) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol
PubChem CID77067604
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol
SMILESCOCC(O)COc1cccc2c1CCCC2=NO
InChIInChI=1S/C14H19NO4/c1-18-8-10(16)9-19-14-7-3-4-11-12(14)5-2-6-13(11)15-17/h3-4,7,10,16-17H,2,5-6,8-9H2,1H3
InChIKeySFUZINYLNPUTDL-UHFFFAOYSA-N
XLogP1.59
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol (CID 77067604) is 1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol is COCC(O)COc1cccc2c1CCCC2=NO.
What is the InChIKey of 1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol?
The InChIKey is SFUZINYLNPUTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-8-10(16)9-19-14-7-3-4-11-12(14)5-2-6-13(11)15-17/h3-4,7,10,16-17H,2,5-6,8-9H2,1H3.
What are the key properties of 1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol?
1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol has a molecular weight of 265.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol is sourced from PubChem (CID 77067604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).