(2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol

C15H18O — CID 94601218

IUPAC(2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol
SMILESCC(C)[C@](C)(O)c1ccc2ccccc2c1
InChIInChI=1S/C15H18O/c1-11(2)15(3,16)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,16H,1-3H3/t15-/m0/s1
InChIKeyIJCSTKOZADZZHK-HNNXBMFYSA-N
MW214.31 g/mol
LogP3.70
Rot. Bonds2

About (2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol

(2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol (PubChem CID 94601218) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol
PubChem CID94601218
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol
SMILESCC(C)[C@](C)(O)c1ccc2ccccc2c1
InChIInChI=1S/C15H18O/c1-11(2)15(3,16)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,16H,1-3H3/t15-/m0/s1
InChIKeyIJCSTKOZADZZHK-HNNXBMFYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-2-naphthalen-2-ylpentane-2,3-diol
CID 102080428
2-(2,3-dimethylbutan-2-yl)anthracene
CID 173439325
trinaphthalen-2-ylmethanol
CID 10573628
(2R)-2-hydroxy-2-naphthalen-2-ylpropanal
CID 122375981
(2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol
CID 94334038
1,1,4,4-tetranaphthalen-2-ylbutane-1,2,3,4-tetrol
CID 23002857
1-amino-2-naphthalen-2-ylpropan-2-ol
CID 62773964
3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol
CID 62800591
2-(3,4-difluorophenyl)-3-methylbutan-2-ol
CID 62802016
2-(trinaphthalen-2-ylmethyl)naphthalene
CID 101401266
2-(4-fluoro-3-methylphenyl)-3-methylbutan-2-ol
CID 62786947
3-amino-3-naphthalen-2-ylbutan-1-ol
CID 65239621

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol?
The IUPAC name of (2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol (CID 94601218) is (2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol.
What is the SMILES notation for (2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol?
The canonical SMILES for (2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol is CC(C)[C@](C)(O)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol?
The InChIKey is IJCSTKOZADZZHK-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18O/c1-11(2)15(3,16)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,16H,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol?
(2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol has a molecular weight of 214.31 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol is sourced from PubChem (CID 94601218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).