[5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol

C11H15FO — CID 84658586

IUPAC[5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol
SMILESCc1ccc(C(C)(C)F)cc1CO
InChIInChI=1S/C11H15FO/c1-8-4-5-10(11(2,3)12)6-9(8)7-13/h4-6,13H,7H2,1-3H3
InChIKeyJMYNBEQNXLLESS-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.69
Rot. Bonds2

About [5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol

[5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol (PubChem CID 84658586) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is [5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol.

Molecular Properties

Compound Name[5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol
PubChem CID84658586
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name[5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol
SMILESCc1ccc(C(C)(C)F)cc1CO
InChIInChI=1S/C11H15FO/c1-8-4-5-10(11(2,3)12)6-9(8)7-13/h4-6,13H,7H2,1-3H3
InChIKeyJMYNBEQNXLLESS-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol?
The IUPAC name of [5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol (CID 84658586) is [5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol.
What is the SMILES notation for [5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol?
The canonical SMILES for [5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol is Cc1ccc(C(C)(C)F)cc1CO.
What is the InChIKey of [5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol?
The InChIKey is JMYNBEQNXLLESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-8-4-5-10(11(2,3)12)6-9(8)7-13/h4-6,13H,7H2,1-3H3.
What are the key properties of [5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol?
[5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol has a molecular weight of 182.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol is sourced from PubChem (CID 84658586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).