2-(3-fluoro-4-methylphenyl)-4-methylphenol

C14H13FO — CID 83129977

IUPAC2-(3-fluoro-4-methylphenyl)-4-methylphenol
SMILESCc1ccc(O)c(-c2ccc(C)c(F)c2)c1
InChIInChI=1S/C14H13FO/c1-9-3-6-14(16)12(7-9)11-5-4-10(2)13(15)8-11/h3-8,16H,1-2H3
InChIKeyDHKREUYGLXOGPQ-UHFFFAOYSA-N
MW216.25 g/mol
LogP3.82
Rot. Bonds1

About 2-(3-fluoro-4-methylphenyl)-4-methylphenol

2-(3-fluoro-4-methylphenyl)-4-methylphenol (PubChem CID 83129977) has the molecular formula C14H13FO and a molecular weight of 216.25 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-4-methylphenol.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-4-methylphenol
PubChem CID83129977
Molecular FormulaC14H13FO
Molecular Weight216.25 g/mol
Exact Mass216.10
IUPAC Name2-(3-fluoro-4-methylphenyl)-4-methylphenol
SMILESCc1ccc(O)c(-c2ccc(C)c(F)c2)c1
InChIInChI=1S/C14H13FO/c1-9-3-6-14(16)12(7-9)11-5-4-10(2)13(15)8-11/h3-8,16H,1-2H3
InChIKeyDHKREUYGLXOGPQ-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-4-methylphenol?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-4-methylphenol (CID 83129977) is 2-(3-fluoro-4-methylphenyl)-4-methylphenol.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-4-methylphenol?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-4-methylphenol is Cc1ccc(O)c(-c2ccc(C)c(F)c2)c1.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-4-methylphenol?
The InChIKey is DHKREUYGLXOGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO/c1-9-3-6-14(16)12(7-9)11-5-4-10(2)13(15)8-11/h3-8,16H,1-2H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-4-methylphenol?
2-(3-fluoro-4-methylphenyl)-4-methylphenol has a molecular weight of 216.25 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-4-methylphenol is sourced from PubChem (CID 83129977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).