5-(3-fluoro-2-methylphenyl)-2-methylphenol

C14H13FO — CID 53218846

IUPAC5-(3-fluoro-2-methylphenyl)-2-methylphenol
SMILESCc1ccc(-c2cccc(F)c2C)cc1O
InChIInChI=1S/C14H13FO/c1-9-6-7-11(8-14(9)16)12-4-3-5-13(15)10(12)2/h3-8,16H,1-2H3
InChIKeyLVARQCYZTGOIID-UHFFFAOYSA-N
MW216.25 g/mol
LogP3.82
Rot. Bonds1

About 5-(3-fluoro-2-methylphenyl)-2-methylphenol

5-(3-fluoro-2-methylphenyl)-2-methylphenol (PubChem CID 53218846) has the molecular formula C14H13FO and a molecular weight of 216.25 g/mol. Its IUPAC name is 5-(3-fluoro-2-methylphenyl)-2-methylphenol.

Molecular Properties

Compound Name5-(3-fluoro-2-methylphenyl)-2-methylphenol
PubChem CID53218846
Molecular FormulaC14H13FO
Molecular Weight216.25 g/mol
Exact Mass216.10
IUPAC Name5-(3-fluoro-2-methylphenyl)-2-methylphenol
SMILESCc1ccc(-c2cccc(F)c2C)cc1O
InChIInChI=1S/C14H13FO/c1-9-6-7-11(8-14(9)16)12-4-3-5-13(15)10(12)2/h3-8,16H,1-2H3
InChIKeyLVARQCYZTGOIID-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 5-(3-fluoro-2-methylphenyl)-2-methylphenol?
The IUPAC name of 5-(3-fluoro-2-methylphenyl)-2-methylphenol (CID 53218846) is 5-(3-fluoro-2-methylphenyl)-2-methylphenol.
What is the SMILES notation for 5-(3-fluoro-2-methylphenyl)-2-methylphenol?
The canonical SMILES for 5-(3-fluoro-2-methylphenyl)-2-methylphenol is Cc1ccc(-c2cccc(F)c2C)cc1O.
What is the InChIKey of 5-(3-fluoro-2-methylphenyl)-2-methylphenol?
The InChIKey is LVARQCYZTGOIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO/c1-9-6-7-11(8-14(9)16)12-4-3-5-13(15)10(12)2/h3-8,16H,1-2H3.
What are the key properties of 5-(3-fluoro-2-methylphenyl)-2-methylphenol?
5-(3-fluoro-2-methylphenyl)-2-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 5-(3-fluoro-2-methylphenyl)-2-methylphenol is sourced from PubChem (CID 53218846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).