3-(6-hydroxyhexoxy)naphthalen-2-ol

C16H20O3 — CID 107704307

IUPAC3-(6-hydroxyhexoxy)naphthalen-2-ol
SMILESOCCCCCCOc1cc2ccccc2cc1O
InChIInChI=1S/C16H20O3/c17-9-5-1-2-6-10-19-16-12-14-8-4-3-7-13(14)11-15(16)18/h3-4,7-8,11-12,17-18H,1-2,5-6,9-10H2
InChIKeyABBYJLSJSIZEBM-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.48
Rot. Bonds7

About 3-(6-hydroxyhexoxy)naphthalen-2-ol

3-(6-hydroxyhexoxy)naphthalen-2-ol (PubChem CID 107704307) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 3-(6-hydroxyhexoxy)naphthalen-2-ol.

Molecular Properties

Compound Name3-(6-hydroxyhexoxy)naphthalen-2-ol
PubChem CID107704307
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name3-(6-hydroxyhexoxy)naphthalen-2-ol
SMILESOCCCCCCOc1cc2ccccc2cc1O
InChIInChI=1S/C16H20O3/c17-9-5-1-2-6-10-19-16-12-14-8-4-3-7-13(14)11-15(16)18/h3-4,7-8,11-12,17-18H,1-2,5-6,9-10H2
InChIKeyABBYJLSJSIZEBM-UHFFFAOYSA-N
XLogP3.48
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-(3-hydroxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-ol
CID 101421766
3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)naphthalen-2-yl]oxypropoxy]naphthalen-2-yl]oxypropoxy]naphthalen-2-yl]oxypropan-1-ol
CID 139777486
3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
CID 107702043
15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
6-(3-hydroxynaphthalen-2-yl)oxy-2,2-dimethylhexanenitrile
CID 106713098
11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 139835438
7-phenoxyheptan-1-ol
CID 15856264
6-[4-(6-hydroxyhexoxy)-2,5-bis(3-naphthalen-2-ylphenyl)phenoxy]hexan-1-ol
CID 169075760
2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile
CID 43143618
11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol
CID 86182037
11-(2-methylphenoxy)undecan-1-ol
CID 123672662

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxyhexoxy)naphthalen-2-ol?
The IUPAC name of 3-(6-hydroxyhexoxy)naphthalen-2-ol (CID 107704307) is 3-(6-hydroxyhexoxy)naphthalen-2-ol.
What is the SMILES notation for 3-(6-hydroxyhexoxy)naphthalen-2-ol?
The canonical SMILES for 3-(6-hydroxyhexoxy)naphthalen-2-ol is OCCCCCCOc1cc2ccccc2cc1O.
What is the InChIKey of 3-(6-hydroxyhexoxy)naphthalen-2-ol?
The InChIKey is ABBYJLSJSIZEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c17-9-5-1-2-6-10-19-16-12-14-8-4-3-7-13(14)11-15(16)18/h3-4,7-8,11-12,17-18H,1-2,5-6,9-10H2.
What are the key properties of 3-(6-hydroxyhexoxy)naphthalen-2-ol?
3-(6-hydroxyhexoxy)naphthalen-2-ol has a molecular weight of 260.33 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxyhexoxy)naphthalen-2-ol is sourced from PubChem (CID 107704307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).