11-naphthalen-2-yloxyundecan-1-ol

C21H30O2 — CID 164916130

IUPAC11-naphthalen-2-yloxyundecan-1-ol
SMILESOCCCCCCCCCCCOc1ccc2ccccc2c1
InChIInChI=1S/C21H30O2/c22-16-10-6-4-2-1-3-5-7-11-17-23-21-15-14-19-12-8-9-13-20(19)18-21/h8-9,12-15,18,22H,1-7,10-11,16-17H2
InChIKeyMWQNUUXSNZAWNC-UHFFFAOYSA-N
MW314.47 g/mol
LogP5.72
Rot. Bonds12

About 11-naphthalen-2-yloxyundecan-1-ol

11-naphthalen-2-yloxyundecan-1-ol (PubChem CID 164916130) has the molecular formula C21H30O2 and a molecular weight of 314.47 g/mol. Its IUPAC name is 11-naphthalen-2-yloxyundecan-1-ol.

Molecular Properties

Compound Name11-naphthalen-2-yloxyundecan-1-ol
PubChem CID164916130
Molecular FormulaC21H30O2
Molecular Weight314.47 g/mol
Exact Mass314.22
IUPAC Name11-naphthalen-2-yloxyundecan-1-ol
SMILESOCCCCCCCCCCCOc1ccc2ccccc2c1
InChIInChI=1S/C21H30O2/c22-16-10-6-4-2-1-3-5-7-11-17-23-21-15-14-19-12-8-9-13-20(19)18-21/h8-9,12-15,18,22H,1-7,10-11,16-17H2
InChIKeyMWQNUUXSNZAWNC-UHFFFAOYSA-N
XLogP5.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol
CID 138483629
7-(5-hydroxypentoxy)naphthalen-2-ol
CID 62229734
3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol
CID 118363614
2-(9-bromononoxy)naphthalene
CID 105343234
4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol
CID 126699424
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
6-quinolin-7-yloxyhexan-1-ol
CID 107705479
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol
CID 142809566
7-phenoxyheptan-1-ol
CID 15856264
2-(7,7,7-trifluoroheptoxy)naphthalene
CID 134838643

Frequently Asked Questions

What is the IUPAC name of 11-naphthalen-2-yloxyundecan-1-ol?
The IUPAC name of 11-naphthalen-2-yloxyundecan-1-ol (CID 164916130) is 11-naphthalen-2-yloxyundecan-1-ol.
What is the SMILES notation for 11-naphthalen-2-yloxyundecan-1-ol?
The canonical SMILES for 11-naphthalen-2-yloxyundecan-1-ol is OCCCCCCCCCCCOc1ccc2ccccc2c1.
What is the InChIKey of 11-naphthalen-2-yloxyundecan-1-ol?
The InChIKey is MWQNUUXSNZAWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O2/c22-16-10-6-4-2-1-3-5-7-11-17-23-21-15-14-19-12-8-9-13-20(19)18-21/h8-9,12-15,18,22H,1-7,10-11,16-17H2.
What are the key properties of 11-naphthalen-2-yloxyundecan-1-ol?
11-naphthalen-2-yloxyundecan-1-ol has a molecular weight of 314.47 g/mol, XLogP of 5.72, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-naphthalen-2-yloxyundecan-1-ol is sourced from PubChem (CID 164916130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).