(1S)-1-naphthalen-2-ylbutane-1,4-diol

C14H16O2 — CID 163077127

IUPAC(1S)-1-naphthalen-2-ylbutane-1,4-diol
SMILESOCCC[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C14H16O2/c15-9-3-6-14(16)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14-16H,3,6,9H2/t14-/m0/s1
InChIKeyYPSNJAFLBWNLSY-AWEZNQCLSA-N
MW216.28 g/mol
LogP2.65
Rot. Bonds4

About (1S)-1-naphthalen-2-ylbutane-1,4-diol

(1S)-1-naphthalen-2-ylbutane-1,4-diol (PubChem CID 163077127) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (1S)-1-naphthalen-2-ylbutane-1,4-diol.

Molecular Properties

Compound Name(1S)-1-naphthalen-2-ylbutane-1,4-diol
PubChem CID163077127
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(1S)-1-naphthalen-2-ylbutane-1,4-diol
SMILESOCCC[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C14H16O2/c15-9-3-6-14(16)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14-16H,3,6,9H2/t14-/m0/s1
InChIKeyYPSNJAFLBWNLSY-AWEZNQCLSA-N
XLogP2.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-1-naphthalen-2-ylbutane-1,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856
3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol
CID 60909589
4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol
CID 64565521
1-naphthalen-2-yl-2-phenylethanol
CID 2793947
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
N,8-dihydroxy-8-naphthalen-2-yloctanamide
CID 11044829
naphthalen-2-ylmethanediol
CID 22496827
2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028
3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol
CID 55115850
(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride
CID 171220879
3-cyclohexyl-1-naphthalen-2-ylpropan-1-ol
CID 115792765

Frequently Asked Questions

What is the IUPAC name of (1S)-1-naphthalen-2-ylbutane-1,4-diol?
The IUPAC name of (1S)-1-naphthalen-2-ylbutane-1,4-diol (CID 163077127) is (1S)-1-naphthalen-2-ylbutane-1,4-diol.
What is the SMILES notation for (1S)-1-naphthalen-2-ylbutane-1,4-diol?
The canonical SMILES for (1S)-1-naphthalen-2-ylbutane-1,4-diol is OCCC[C@H](O)c1ccc2ccccc2c1.
What is the InChIKey of (1S)-1-naphthalen-2-ylbutane-1,4-diol?
The InChIKey is YPSNJAFLBWNLSY-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16O2/c15-9-3-6-14(16)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14-16H,3,6,9H2/t14-/m0/s1.
What are the key properties of (1S)-1-naphthalen-2-ylbutane-1,4-diol?
(1S)-1-naphthalen-2-ylbutane-1,4-diol has a molecular weight of 216.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-naphthalen-2-ylbutane-1,4-diol is sourced from PubChem (CID 163077127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).