4-[(2-fluorophenoxy)methyl]-2-methoxyphenol

C14H13FO3 — CID 117220257

IUPAC4-[(2-fluorophenoxy)methyl]-2-methoxyphenol
SMILESCOc1cc(COc2ccccc2F)ccc1O
InChIInChI=1S/C14H13FO3/c1-17-14-8-10(6-7-12(14)16)9-18-13-5-3-2-4-11(13)15/h2-8,16H,9H2,1H3
InChIKeyPBMNVTONMSQDAK-UHFFFAOYSA-N
MW248.25 g/mol
LogP3.12
Rot. Bonds4

About 4-[(2-fluorophenoxy)methyl]-2-methoxyphenol

4-[(2-fluorophenoxy)methyl]-2-methoxyphenol (PubChem CID 117220257) has the molecular formula C14H13FO3 and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-[(2-fluorophenoxy)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(2-fluorophenoxy)methyl]-2-methoxyphenol
PubChem CID117220257
Molecular FormulaC14H13FO3
Molecular Weight248.25 g/mol
Exact Mass248.08
IUPAC Name4-[(2-fluorophenoxy)methyl]-2-methoxyphenol
SMILESCOc1cc(COc2ccccc2F)ccc1O
InChIInChI=1S/C14H13FO3/c1-17-14-8-10(6-7-12(14)16)9-18-13-5-3-2-4-11(13)15/h2-8,16H,9H2,1H3
InChIKeyPBMNVTONMSQDAK-UHFFFAOYSA-N
XLogP3.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-[(2-methoxyphenoxy)methyl]phenol
CID 71421092
5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)phenol
CID 117221704
1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
CID 103749344
2-[(3-amino-4-fluorophenyl)methoxy]phenol
CID 105492351
4-[4-[(2-fluorophenoxy)methyl]phenyl]-2,6-dimethylphenol
CID 130456710
4-[(2-fluorophenyl)methoxy]-2-methoxyphenol
CID 174834287
2-[(4-fluorophenyl)methoxy]phenol
CID 43143460
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
(4-hydroxy-3-methoxyphenyl)methylazanium chloride
CID 11745412

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenoxy)methyl]-2-methoxyphenol?
The IUPAC name of 4-[(2-fluorophenoxy)methyl]-2-methoxyphenol (CID 117220257) is 4-[(2-fluorophenoxy)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(2-fluorophenoxy)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(2-fluorophenoxy)methyl]-2-methoxyphenol is COc1cc(COc2ccccc2F)ccc1O.
What is the InChIKey of 4-[(2-fluorophenoxy)methyl]-2-methoxyphenol?
The InChIKey is PBMNVTONMSQDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO3/c1-17-14-8-10(6-7-12(14)16)9-18-13-5-3-2-4-11(13)15/h2-8,16H,9H2,1H3.
What are the key properties of 4-[(2-fluorophenoxy)methyl]-2-methoxyphenol?
4-[(2-fluorophenoxy)methyl]-2-methoxyphenol has a molecular weight of 248.25 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenoxy)methyl]-2-methoxyphenol is sourced from PubChem (CID 117220257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).