(2S)-2-(2-propan-2-ylphenyl)butan-2-ol

C13H20O — CID 97294103

IUPAC(2S)-2-(2-propan-2-ylphenyl)butan-2-ol
SMILESCC[C@](C)(O)c1ccccc1C(C)C
InChIInChI=1S/C13H20O/c1-5-13(4,14)12-9-7-6-8-11(12)10(2)3/h6-10,14H,5H2,1-4H3/t13-/m0/s1
InChIKeyLYTOOPPDIXHHHL-ZDUSSCGKSA-N
MW192.30 g/mol
LogP3.43
Rot. Bonds3

About (2S)-2-(2-propan-2-ylphenyl)butan-2-ol

(2S)-2-(2-propan-2-ylphenyl)butan-2-ol (PubChem CID 97294103) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (2S)-2-(2-propan-2-ylphenyl)butan-2-ol.

Molecular Properties

Compound Name(2S)-2-(2-propan-2-ylphenyl)butan-2-ol
PubChem CID97294103
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(2S)-2-(2-propan-2-ylphenyl)butan-2-ol
SMILESCC[C@](C)(O)c1ccccc1C(C)C
InChIInChI=1S/C13H20O/c1-5-13(4,14)12-9-7-6-8-11(12)10(2)3/h6-10,14H,5H2,1-4H3/t13-/m0/s1
InChIKeyLYTOOPPDIXHHHL-ZDUSSCGKSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-propan-2-ylphenyl)butan-2-ol?
The IUPAC name of (2S)-2-(2-propan-2-ylphenyl)butan-2-ol (CID 97294103) is (2S)-2-(2-propan-2-ylphenyl)butan-2-ol.
What is the SMILES notation for (2S)-2-(2-propan-2-ylphenyl)butan-2-ol?
The canonical SMILES for (2S)-2-(2-propan-2-ylphenyl)butan-2-ol is CC[C@](C)(O)c1ccccc1C(C)C.
What is the InChIKey of (2S)-2-(2-propan-2-ylphenyl)butan-2-ol?
The InChIKey is LYTOOPPDIXHHHL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20O/c1-5-13(4,14)12-9-7-6-8-11(12)10(2)3/h6-10,14H,5H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-2-(2-propan-2-ylphenyl)butan-2-ol?
(2S)-2-(2-propan-2-ylphenyl)butan-2-ol has a molecular weight of 192.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-propan-2-ylphenyl)butan-2-ol is sourced from PubChem (CID 97294103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).