1-naphthalen-1-yloxyundecan-2-ol

C21H30O2 — CID 2793899

IUPAC1-naphthalen-1-yloxyundecan-2-ol
SMILESCCCCCCCCCC(O)COc1cccc2ccccc12
InChIInChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-14-19(22)17-23-21-16-11-13-18-12-9-10-15-20(18)21/h9-13,15-16,19,22H,2-8,14,17H2,1H3
InChIKeyAVBJHCLWXHAOCT-UHFFFAOYSA-N
MW314.47 g/mol
LogP5.72
Rot. Bonds11

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

1-naphthalen-1-yloxyundecan-2-ol (PubChem CID 2793899) has the molecular formula C21H30O2 and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-naphthalen-1-yloxyundecan-2-ol.

Molecular Properties

Compound Name1-naphthalen-1-yloxyundecan-2-ol
PubChem CID2793899
Molecular FormulaC21H30O2
Molecular Weight314.47 g/mol
Exact Mass314.22
IUPAC Name1-naphthalen-1-yloxyundecan-2-ol
SMILESCCCCCCCCCC(O)COc1cccc2ccccc12
InChIInChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-14-19(22)17-23-21-16-11-13-18-12-9-10-15-20(18)21/h9-13,15-16,19,22H,2-8,14,17H2,1H3
InChIKeyAVBJHCLWXHAOCT-UHFFFAOYSA-N
XLogP5.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
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

4-amino-1-naphthalen-1-yloxybutan-2-ol
CID 86215876
1-phenoxytetradecan-2-ol
CID 11609222
1-[2-[(E)-prop-1-enyl]phenoxy]tetradecan-2-ol
CID 155122599
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;octadecanoic acid
CID 70496276
1-phenoxyheptan-2-ol
CID 12731443
1-[1,1,1,2,3,3,3-heptadeuteriopropan-2-yl-(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 162641225
1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 13120361
[2-(2-hydroxydodecoxy)phenyl]-phenylmethanone
CID 54446006
1-naphthalen-1-ylnonan-2-ol
CID 19902465
1-butoxynaphthalene
CID 13262700
N',3-dihydroxy-4-naphthalen-1-yloxybutanimidamide;octadecanoic acid
CID 173408797
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yloxyundecan-2-ol?
The IUPAC name of 1-naphthalen-1-yloxyundecan-2-ol (CID 2793899) is 1-naphthalen-1-yloxyundecan-2-ol.
What is the SMILES notation for 1-naphthalen-1-yloxyundecan-2-ol?
The canonical SMILES for 1-naphthalen-1-yloxyundecan-2-ol is CCCCCCCCCC(O)COc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yloxyundecan-2-ol?
The InChIKey is AVBJHCLWXHAOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-14-19(22)17-23-21-16-11-13-18-12-9-10-15-20(18)21/h9-13,15-16,19,22H,2-8,14,17H2,1H3.
What are the key properties of 1-naphthalen-1-yloxyundecan-2-ol?
1-naphthalen-1-yloxyundecan-2-ol has a molecular weight of 314.47 g/mol, XLogP of 5.72, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yloxyundecan-2-ol is sourced from PubChem (CID 2793899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).