5-[(4-fluorophenoxy)methyl]-2-methylphenol

C14H13FO2 — CID 117221915

IUPAC5-[(4-fluorophenoxy)methyl]-2-methylphenol
SMILESCc1ccc(COc2ccc(F)cc2)cc1O
InChIInChI=1S/C14H13FO2/c1-10-2-3-11(8-14(10)16)9-17-13-6-4-12(15)5-7-13/h2-8,16H,9H2,1H3
InChIKeyNHJXFURAXIECMR-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.42
Rot. Bonds3

About 5-[(4-fluorophenoxy)methyl]-2-methylphenol

5-[(4-fluorophenoxy)methyl]-2-methylphenol (PubChem CID 117221915) has the molecular formula C14H13FO2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-2-methylphenol.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-2-methylphenol
PubChem CID117221915
Molecular FormulaC14H13FO2
Molecular Weight232.25 g/mol
Exact Mass232.09
IUPAC Name5-[(4-fluorophenoxy)methyl]-2-methylphenol
SMILESCc1ccc(COc2ccc(F)cc2)cc1O
InChIInChI=1S/C14H13FO2/c1-10-2-3-11(8-14(10)16)9-17-13-6-4-12(15)5-7-13/h2-8,16H,9H2,1H3
InChIKeyNHJXFURAXIECMR-UHFFFAOYSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-fluorophenoxy)methyl]-2-methylphenol
CID 117220443
5-[(4-fluorophenoxy)methyl]-2-methylaniline
CID 117221912
2-methyl-5-[(3-methylphenoxy)methyl]phenol
CID 117221818
4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid
CID 117220532
5-[(3-bromophenoxy)methyl]-2-methylphenol
CID 117221825
4-[(4-fluorophenoxy)methyl]-3-methylphenol
CID 117219687
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
5-fluoro-2-methylphenol
CID 2774616
2-methyl-5-(propan-2-yloxymethyl)phenol
CID 117222042
1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene
CID 143178239
3-fluoro-5-[(4-fluorophenyl)methoxy]phenol
CID 146557101
(1R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethanol
CID 63364366

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-2-methylphenol?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-2-methylphenol (CID 117221915) is 5-[(4-fluorophenoxy)methyl]-2-methylphenol.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-2-methylphenol?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-2-methylphenol is Cc1ccc(COc2ccc(F)cc2)cc1O.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-2-methylphenol?
The InChIKey is NHJXFURAXIECMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2/c1-10-2-3-11(8-14(10)16)9-17-13-6-4-12(15)5-7-13/h2-8,16H,9H2,1H3.
What are the key properties of 5-[(4-fluorophenoxy)methyl]-2-methylphenol?
5-[(4-fluorophenoxy)methyl]-2-methylphenol has a molecular weight of 232.25 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-2-methylphenol is sourced from PubChem (CID 117221915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).