2-Phenyl-2-propanol

C9H12O — CID 12053

IUPAC2-phenylpropan-2-ol
SMILESCC(C)(C1=CC=CC=C1)O
InChIInChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
InChIKeyBDCFWIDZNLCTMF-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.80
Rot. Bonds1

About 2-Phenyl-2-propanol

2-Phenyl-2-propanol (PubChem CID 12053) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2-phenylpropan-2-ol.

Molecular Properties

Compound Name2-Phenyl-2-propanol
PubChem CID12053
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2-phenylpropan-2-ol
SMILESCC(C)(C1=CC=CC=C1)O
InChIInChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
InChIKeyBDCFWIDZNLCTMF-UHFFFAOYSA-N
XLogP1.80
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity101

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzyl Alcohol
CID 244
1-Phenylethanol
CID 7409
Cumene Hydroperoxide
CID 6629
Dicumyl peroxide
CID 6641
Cuminol
CID 325
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
2-Isopropylphenol
CID 6943
4-Methylbenzyl alcohol
CID 11505
2-Tert-Butylphenol
CID 6923
3-Isopropylphenol
CID 12059
1-Phenyl-3-methyl-3-pentanol
CID 61516

Frequently Asked Questions

What is the IUPAC name of 2-Phenyl-2-propanol?
The IUPAC name of 2-Phenyl-2-propanol (CID 12053) is 2-phenylpropan-2-ol.
What is the SMILES notation for 2-Phenyl-2-propanol?
The canonical SMILES for 2-Phenyl-2-propanol is CC(C)(C1=CC=CC=C1)O.
What is the InChIKey of 2-Phenyl-2-propanol?
The InChIKey is BDCFWIDZNLCTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3.
What are the key properties of 2-Phenyl-2-propanol?
2-Phenyl-2-propanol has a molecular weight of 136.19 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Phenyl-2-propanol is sourced from PubChem (CID 12053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).