ethane;naphthalen-2-ol

C16H26O — CID 91107047

IUPACethane;naphthalen-2-ol
SMILESCC.CC.CC.Oc1ccc2ccccc2c1
InChIInChI=1S/C10H8O.3C2H6/c11-10-6-5-8-3-1-2-4-9(8)7-10;3*1-2/h1-7,11H;3*1-2H3
InChIKeyHKZXKRNHEYJDBC-UHFFFAOYSA-N
MW234.38 g/mol
LogP5.62
Rot. Bonds

About ethane;naphthalen-2-ol

ethane;naphthalen-2-ol (PubChem CID 91107047) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is ethane;naphthalen-2-ol.

Molecular Properties

Compound Nameethane;naphthalen-2-ol
PubChem CID91107047
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Nameethane;naphthalen-2-ol
SMILESCC.CC.CC.Oc1ccc2ccccc2c1
InChIInChI=1S/C10H8O.3C2H6/c11-10-6-5-8-3-1-2-4-9(8)7-10;3*1-2/h1-7,11H;3*1-2H3
InChIKeyHKZXKRNHEYJDBC-UHFFFAOYSA-N
XLogP5.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.38
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;naphthalen-2-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

naphthalen-2-ol
CID 71750931
CID 69280188
CID 69280188
bis(1,4-diethylbenzene);tris(naphthalen-2-ol)
CID 90749949
methylcarbamic acid;naphthalen-2-ol
CID 57349809
ethane;2-ethylnaphthalene;6-methylnaphthalen-2-ol
CID 143631161
sodium;hydride;naphthalene-2,6-diol
CID 174639769
naphthalen-2-ol;phenylmethoxymethylbenzene
CID 18786875
naphthalene-2-carboxylic acid;naphthalen-2-ol
CID 161405760
6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-ol
CID 58876156
anthracene;ethane;naphthalene
CID 159079166
naphthalene-1,4-diol;naphthalene-2,6-diol
CID 67516588
cyclopenta-1,3-diene;dichlorotitanium;naphthalen-2-ol
CID 156699772

Frequently Asked Questions

What is the IUPAC name of ethane;naphthalen-2-ol?
The IUPAC name of ethane;naphthalen-2-ol (CID 91107047) is ethane;naphthalen-2-ol.
What is the SMILES notation for ethane;naphthalen-2-ol?
The canonical SMILES for ethane;naphthalen-2-ol is CC.CC.CC.Oc1ccc2ccccc2c1.
What is the InChIKey of ethane;naphthalen-2-ol?
The InChIKey is HKZXKRNHEYJDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O.3C2H6/c11-10-6-5-8-3-1-2-4-9(8)7-10;3*1-2/h1-7,11H;3*1-2H3.
What are the key properties of ethane;naphthalen-2-ol?
ethane;naphthalen-2-ol has a molecular weight of 234.38 g/mol, XLogP of 5.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;naphthalen-2-ol is sourced from PubChem (CID 91107047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).