(1S)-1-naphthalen-1-ylpropane-1,3-diol

C13H14O2 — CID 154706330

IUPAC(1S)-1-naphthalen-1-ylpropane-1,3-diol
SMILESOCC[C@H](O)c1cccc2ccccc12
InChIInChI=1S/C13H14O2/c14-9-8-13(15)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-15H,8-9H2/t13-/m0/s1
InChIKeyBGGNLVFWUUBPQS-ZDUSSCGKSA-N
MW202.25 g/mol
LogP2.26
Rot. Bonds3

About (1S)-1-naphthalen-1-ylpropane-1,3-diol

(1S)-1-naphthalen-1-ylpropane-1,3-diol (PubChem CID 154706330) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (1S)-1-naphthalen-1-ylpropane-1,3-diol.

Molecular Properties

Compound Name(1S)-1-naphthalen-1-ylpropane-1,3-diol
PubChem CID154706330
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(1S)-1-naphthalen-1-ylpropane-1,3-diol
SMILESOCC[C@H](O)c1cccc2ccccc12
InChIInChI=1S/C13H14O2/c14-9-8-13(15)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-15H,8-9H2/t13-/m0/s1
InChIKeyBGGNLVFWUUBPQS-ZDUSSCGKSA-N
XLogP2.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-1-naphthalen-1-ylpentan-1-ol
CID 102525591
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
(1S)-2-chloro-1-naphthalen-1-ylethanol
CID 68839318
5-methoxy-1-naphthalen-1-ylpentan-1-ol
CID 112754213
3-naphthalen-1-ylpent-4-yn-1-ol
CID 141253512
(1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 102066780
(2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium
CID 91999379
2-[(2-hydroxy-2-naphthalen-1-ylethoxy)methoxy]-1-naphthalen-1-ylethanol
CID 67658257
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
CID 90524323
butyl-(3-hydroxy-3-naphthalen-1-ylpropyl)-dimethylazanium iodide
CID 158490821
3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one
CID 54562084

Frequently Asked Questions

What is the IUPAC name of (1S)-1-naphthalen-1-ylpropane-1,3-diol?
The IUPAC name of (1S)-1-naphthalen-1-ylpropane-1,3-diol (CID 154706330) is (1S)-1-naphthalen-1-ylpropane-1,3-diol.
What is the SMILES notation for (1S)-1-naphthalen-1-ylpropane-1,3-diol?
The canonical SMILES for (1S)-1-naphthalen-1-ylpropane-1,3-diol is OCC[C@H](O)c1cccc2ccccc12.
What is the InChIKey of (1S)-1-naphthalen-1-ylpropane-1,3-diol?
The InChIKey is BGGNLVFWUUBPQS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H14O2/c14-9-8-13(15)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-15H,8-9H2/t13-/m0/s1.
What are the key properties of (1S)-1-naphthalen-1-ylpropane-1,3-diol?
(1S)-1-naphthalen-1-ylpropane-1,3-diol has a molecular weight of 202.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-naphthalen-1-ylpropane-1,3-diol is sourced from PubChem (CID 154706330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).