2-fluoro-5-(2-hydroxypropan-2-yl)-3-methylphenol

C10H13FO2 — CID 117279863

IUPAC2-fluoro-5-(2-hydroxypropan-2-yl)-3-methylphenol
SMILESCc1cc(C(C)(C)O)cc(O)c1F
InChIInChI=1S/C10H13FO2/c1-6-4-7(10(2,3)13)5-8(12)9(6)11/h4-5,12-13H,1-3H3
InChIKeyRETSWQWBPYPWEH-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.07
Rot. Bonds1

About 2-fluoro-5-(2-hydroxypropan-2-yl)-3-methylphenol

2-fluoro-5-(2-hydroxypropan-2-yl)-3-methylphenol (PubChem CID 117279863) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-fluoro-5-(2-hydroxypropan-2-yl)-3-methylphenol.

Molecular Properties

Compound Name2-fluoro-5-(2-hydroxypropan-2-yl)-3-methylphenol
PubChem CID117279863
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name2-fluoro-5-(2-hydroxypropan-2-yl)-3-methylphenol
SMILESCc1cc(C(C)(C)O)cc(O)c1F
InChIInChI=1S/C10H13FO2/c1-6-4-7(10(2,3)13)5-8(12)9(6)11/h4-5,12-13H,1-3H3
InChIKeyRETSWQWBPYPWEH-UHFFFAOYSA-N
XLogP2.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-hydroxypropan-2-yl)-3-methylphenol?
The IUPAC name of 2-fluoro-5-(2-hydroxypropan-2-yl)-3-methylphenol (CID 117279863) is 2-fluoro-5-(2-hydroxypropan-2-yl)-3-methylphenol.
What is the SMILES notation for 2-fluoro-5-(2-hydroxypropan-2-yl)-3-methylphenol?
The canonical SMILES for 2-fluoro-5-(2-hydroxypropan-2-yl)-3-methylphenol is Cc1cc(C(C)(C)O)cc(O)c1F.
What is the InChIKey of 2-fluoro-5-(2-hydroxypropan-2-yl)-3-methylphenol?
The InChIKey is RETSWQWBPYPWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-6-4-7(10(2,3)13)5-8(12)9(6)11/h4-5,12-13H,1-3H3.
What are the key properties of 2-fluoro-5-(2-hydroxypropan-2-yl)-3-methylphenol?
2-fluoro-5-(2-hydroxypropan-2-yl)-3-methylphenol has a molecular weight of 184.21 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-hydroxypropan-2-yl)-3-methylphenol is sourced from PubChem (CID 117279863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).