2-fluoro-4-methyl-3-(2-methylpropyl)phenol

C11H15FO — CID 130177584

IUPAC2-fluoro-4-methyl-3-(2-methylpropyl)phenol
SMILESCc1ccc(O)c(F)c1CC(C)C
InChIInChI=1S/C11H15FO/c1-7(2)6-9-8(3)4-5-10(13)11(9)12/h4-5,7,13H,6H2,1-3H3
InChIKeyDHZREJXILNFOEV-UHFFFAOYSA-N
MW182.24 g/mol
LogP3.04
Rot. Bonds2

About 2-fluoro-4-methyl-3-(2-methylpropyl)phenol

2-fluoro-4-methyl-3-(2-methylpropyl)phenol (PubChem CID 130177584) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-fluoro-4-methyl-3-(2-methylpropyl)phenol.

Molecular Properties

Compound Name2-fluoro-4-methyl-3-(2-methylpropyl)phenol
PubChem CID130177584
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name2-fluoro-4-methyl-3-(2-methylpropyl)phenol
SMILESCc1ccc(O)c(F)c1CC(C)C
InChIInChI=1S/C11H15FO/c1-7(2)6-9-8(3)4-5-10(13)11(9)12/h4-5,7,13H,6H2,1-3H3
InChIKeyDHZREJXILNFOEV-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-3-(2-methylpropyl)phenol?
The IUPAC name of 2-fluoro-4-methyl-3-(2-methylpropyl)phenol (CID 130177584) is 2-fluoro-4-methyl-3-(2-methylpropyl)phenol.
What is the SMILES notation for 2-fluoro-4-methyl-3-(2-methylpropyl)phenol?
The canonical SMILES for 2-fluoro-4-methyl-3-(2-methylpropyl)phenol is Cc1ccc(O)c(F)c1CC(C)C.
What is the InChIKey of 2-fluoro-4-methyl-3-(2-methylpropyl)phenol?
The InChIKey is DHZREJXILNFOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-7(2)6-9-8(3)4-5-10(13)11(9)12/h4-5,7,13H,6H2,1-3H3.
What are the key properties of 2-fluoro-4-methyl-3-(2-methylpropyl)phenol?
2-fluoro-4-methyl-3-(2-methylpropyl)phenol has a molecular weight of 182.24 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-3-(2-methylpropyl)phenol is sourced from PubChem (CID 130177584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).