4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol

C16H20O4 — CID 138483629

IUPAC4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol
SMILESOCCCCOc1ccc2cc(OCCO)ccc2c1
InChIInChI=1S/C16H20O4/c17-7-1-2-9-19-15-5-3-14-12-16(20-10-8-18)6-4-13(14)11-15/h3-6,11-12,17-18H,1-2,7-10H2
InChIKeyRIJQNLANMAIJJJ-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.36
Rot. Bonds8

About 4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol

4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol (PubChem CID 138483629) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol.

Molecular Properties

Compound Name4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol
PubChem CID138483629
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol
SMILESOCCCCOc1ccc2cc(OCCO)ccc2c1
InChIInChI=1S/C16H20O4/c17-7-1-2-9-19-15-5-3-14-12-16(20-10-8-18)6-4-13(14)11-15/h3-6,11-12,17-18H,1-2,7-10H2
InChIKeyRIJQNLANMAIJJJ-UHFFFAOYSA-N
XLogP2.36
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol
CID 86182037
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol
CID 126699424
3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol
CID 118363614
8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol
CID 142809566
7-(5-hydroxypentoxy)naphthalen-2-ol
CID 62229734
[6-(2-hydroxyethoxy)naphthalen-2-yl]boronic acid
CID 67996313
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
6-quinolin-7-yloxyhexan-1-ol
CID 107705479
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-naphthalen-2-yloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 23534221
CID 162335780
CID 162335780

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol?
The IUPAC name of 4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol (CID 138483629) is 4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol.
What is the SMILES notation for 4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol?
The canonical SMILES for 4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol is OCCCCOc1ccc2cc(OCCO)ccc2c1.
What is the InChIKey of 4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol?
The InChIKey is RIJQNLANMAIJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c17-7-1-2-9-19-15-5-3-14-12-16(20-10-8-18)6-4-13(14)11-15/h3-6,11-12,17-18H,1-2,7-10H2.
What are the key properties of 4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol?
4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol has a molecular weight of 276.33 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol is sourced from PubChem (CID 138483629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).