2-naphthalen-2-ylpropan-2-ol

C13H14O — CID 598865

IUPAC2-naphthalen-2-ylpropan-2-ol
SMILESCC(C)(O)c1ccc2ccccc2c1
InChIInChI=1S/C13H14O/c1-13(2,14)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,14H,1-2H3
InChIKeyCSONNHKIVVSLQQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.07
Rot. Bonds1

About 2-naphthalen-2-ylpropan-2-ol

2-naphthalen-2-ylpropan-2-ol (PubChem CID 598865) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-naphthalen-2-ylpropan-2-ol.

Molecular Properties

Compound Name2-naphthalen-2-ylpropan-2-ol
PubChem CID598865
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name2-naphthalen-2-ylpropan-2-ol
SMILESCC(C)(O)c1ccc2ccccc2c1
InChIInChI=1S/C13H14O/c1-13(2,14)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,14H,1-2H3
InChIKeyCSONNHKIVVSLQQ-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylpropan-2-ol?
The IUPAC name of 2-naphthalen-2-ylpropan-2-ol (CID 598865) is 2-naphthalen-2-ylpropan-2-ol.
What is the SMILES notation for 2-naphthalen-2-ylpropan-2-ol?
The canonical SMILES for 2-naphthalen-2-ylpropan-2-ol is CC(C)(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-ylpropan-2-ol?
The InChIKey is CSONNHKIVVSLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-13(2,14)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,14H,1-2H3.
What are the key properties of 2-naphthalen-2-ylpropan-2-ol?
2-naphthalen-2-ylpropan-2-ol has a molecular weight of 186.25 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylpropan-2-ol is sourced from PubChem (CID 598865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).