ethane;1-naphthalen-2-ylpropan-1-ol

C17H26O — CID 143858826

IUPACethane;1-naphthalen-2-ylpropan-1-ol
SMILESCC.CC.CCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C13H14O.2C2H6/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12;2*1-2/h3-9,13-14H,2H2,1H3;2*1-2H3
InChIKeyNKYRMBRVFBUSSD-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.34
Rot. Bonds2

About ethane;1-naphthalen-2-ylpropan-1-ol

ethane;1-naphthalen-2-ylpropan-1-ol (PubChem CID 143858826) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is ethane;1-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Nameethane;1-naphthalen-2-ylpropan-1-ol
PubChem CID143858826
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Nameethane;1-naphthalen-2-ylpropan-1-ol
SMILESCC.CC.CCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C13H14O.2C2H6/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12;2*1-2/h3-9,13-14H,2H2,1H3;2*1-2H3
InChIKeyNKYRMBRVFBUSSD-UHFFFAOYSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;1-naphthalen-2-ylpropan-1-ol 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-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
2-butan-2-ylsulfanyl-1-naphthalen-2-ylethanol
CID 65136583
2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028
1-naphthalen-2-yl-2-phenylethanol
CID 2793947
(1S)-1-naphthalen-2-ylbutane-1,4-diol
CID 163077127
3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856
ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 13023961
ethane;2-propan-2-ylnaphthalene
CID 142226111
naphthalen-2-ylmethanediol
CID 22496827
3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol
CID 55115850
2-(2,2-dimethylhydrazinyl)-1-naphthalen-2-ylethanol
CID 83014779
2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol
CID 60970944

Frequently Asked Questions

What is the IUPAC name of ethane;1-naphthalen-2-ylpropan-1-ol?
The IUPAC name of ethane;1-naphthalen-2-ylpropan-1-ol (CID 143858826) is ethane;1-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for ethane;1-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for ethane;1-naphthalen-2-ylpropan-1-ol is CC.CC.CCC(O)c1ccc2ccccc2c1.
What is the InChIKey of ethane;1-naphthalen-2-ylpropan-1-ol?
The InChIKey is NKYRMBRVFBUSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O.2C2H6/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12;2*1-2/h3-9,13-14H,2H2,1H3;2*1-2H3.
What are the key properties of ethane;1-naphthalen-2-ylpropan-1-ol?
ethane;1-naphthalen-2-ylpropan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 143858826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).