4-[(4-fluorophenoxy)methyl]-3-methylphenol

C14H13FO2 — CID 117219687

IUPAC4-[(4-fluorophenoxy)methyl]-3-methylphenol
SMILESCc1cc(O)ccc1COc1ccc(F)cc1
InChIInChI=1S/C14H13FO2/c1-10-8-13(16)5-2-11(10)9-17-14-6-3-12(15)4-7-14/h2-8,16H,9H2,1H3
InChIKeyHBGAPIAEYJMBKZ-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.42
Rot. Bonds3

About 4-[(4-fluorophenoxy)methyl]-3-methylphenol

4-[(4-fluorophenoxy)methyl]-3-methylphenol (PubChem CID 117219687) has the molecular formula C14H13FO2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 4-[(4-fluorophenoxy)methyl]-3-methylphenol.

Molecular Properties

Compound Name4-[(4-fluorophenoxy)methyl]-3-methylphenol
PubChem CID117219687
Molecular FormulaC14H13FO2
Molecular Weight232.25 g/mol
Exact Mass232.09
IUPAC Name4-[(4-fluorophenoxy)methyl]-3-methylphenol
SMILESCc1cc(O)ccc1COc1ccc(F)cc1
InChIInChI=1S/C14H13FO2/c1-10-8-13(16)5-2-11(10)9-17-14-6-3-12(15)4-7-14/h2-8,16H,9H2,1H3
InChIKeyHBGAPIAEYJMBKZ-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

(1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanol
CID 104894080
4-[(2,3-difluoro-4-methylphenoxy)methyl]-3-methylphenol
CID 167217978
5-amino-2-[(4-fluorophenoxy)methyl]phenol
CID 117219728
(1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 104894045
1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114345722
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
3-[3-fluoro-5-[(4-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 114348434
5-[(4-fluorophenoxy)methyl]-2-methylphenol
CID 117221915
4-[(4-fluorophenoxy)methyl]-2-methylphenol
CID 117220443
1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
CID 105371730
[4-[(4,5-dimethoxy-2-methylphenyl)methoxy]phenyl]-(4-fluorophenyl)methanone
CID 7795233
3-[(4-fluoro-2-methylphenyl)methoxy]-2-methylphenol
CID 114346383

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenoxy)methyl]-3-methylphenol?
The IUPAC name of 4-[(4-fluorophenoxy)methyl]-3-methylphenol (CID 117219687) is 4-[(4-fluorophenoxy)methyl]-3-methylphenol.
What is the SMILES notation for 4-[(4-fluorophenoxy)methyl]-3-methylphenol?
The canonical SMILES for 4-[(4-fluorophenoxy)methyl]-3-methylphenol is Cc1cc(O)ccc1COc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenoxy)methyl]-3-methylphenol?
The InChIKey is HBGAPIAEYJMBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2/c1-10-8-13(16)5-2-11(10)9-17-14-6-3-12(15)4-7-14/h2-8,16H,9H2,1H3.
What are the key properties of 4-[(4-fluorophenoxy)methyl]-3-methylphenol?
4-[(4-fluorophenoxy)methyl]-3-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 4-[(4-fluorophenoxy)methyl]-3-methylphenol is sourced from PubChem (CID 117219687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).