5-chloro-1-naphthalen-1-ylpentan-1-ol

C15H17ClO — CID 102525591

IUPAC5-chloro-1-naphthalen-1-ylpentan-1-ol
SMILESOC(CCCCCl)c1cccc2ccccc12
InChIInChI=1S/C15H17ClO/c16-11-4-3-10-15(17)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15,17H,3-4,10-11H2
InChIKeyLHYKYOSZZCKDGB-UHFFFAOYSA-N
MW248.75 g/mol
LogP4.28
Rot. Bonds5

About 5-chloro-1-naphthalen-1-ylpentan-1-ol

5-chloro-1-naphthalen-1-ylpentan-1-ol (PubChem CID 102525591) has the molecular formula C15H17ClO and a molecular weight of 248.75 g/mol. Its IUPAC name is 5-chloro-1-naphthalen-1-ylpentan-1-ol.

Molecular Properties

Compound Name5-chloro-1-naphthalen-1-ylpentan-1-ol
PubChem CID102525591
Molecular FormulaC15H17ClO
Molecular Weight248.75 g/mol
Exact Mass248.10
IUPAC Name5-chloro-1-naphthalen-1-ylpentan-1-ol
SMILESOC(CCCCCl)c1cccc2ccccc12
InChIInChI=1S/C15H17ClO/c16-11-4-3-10-15(17)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15,17H,3-4,10-11H2
InChIKeyLHYKYOSZZCKDGB-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-chloro-1-naphthalen-1-ylethanol
CID 68839318
(1S)-1-naphthalen-1-ylpropane-1,3-diol
CID 154706330
5-methoxy-1-naphthalen-1-ylpentan-1-ol
CID 112754213
4-chloro-1-naphthalen-1-ylbutane-1,2-diol
CID 171893987
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
butyl-(3-hydroxy-3-naphthalen-1-ylpropyl)-dimethylazanium iodide
CID 158490821
2-chloro-1-naphthalen-1-ylethanamine
CID 116937640
2,2-dichloro-1-naphthalen-1-ylethanol
CID 164892097
(2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium
CID 91999379
(1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 102066780
2-[(2-hydroxy-2-naphthalen-1-ylethoxy)methoxy]-1-naphthalen-1-ylethanol
CID 67658257

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-naphthalen-1-ylpentan-1-ol?
The IUPAC name of 5-chloro-1-naphthalen-1-ylpentan-1-ol (CID 102525591) is 5-chloro-1-naphthalen-1-ylpentan-1-ol.
What is the SMILES notation for 5-chloro-1-naphthalen-1-ylpentan-1-ol?
The canonical SMILES for 5-chloro-1-naphthalen-1-ylpentan-1-ol is OC(CCCCCl)c1cccc2ccccc12.
What is the InChIKey of 5-chloro-1-naphthalen-1-ylpentan-1-ol?
The InChIKey is LHYKYOSZZCKDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO/c16-11-4-3-10-15(17)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15,17H,3-4,10-11H2.
What are the key properties of 5-chloro-1-naphthalen-1-ylpentan-1-ol?
5-chloro-1-naphthalen-1-ylpentan-1-ol has a molecular weight of 248.75 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-naphthalen-1-ylpentan-1-ol is sourced from PubChem (CID 102525591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).