2-[(3-fluorophenoxy)methyl]-5-methoxyphenol

C14H13FO3 — CID 117221189

IUPAC2-[(3-fluorophenoxy)methyl]-5-methoxyphenol
SMILESCOc1ccc(COc2cccc(F)c2)c(O)c1
InChIInChI=1S/C14H13FO3/c1-17-12-6-5-10(14(16)8-12)9-18-13-4-2-3-11(15)7-13/h2-8,16H,9H2,1H3
InChIKeyPXCYMSUNUWEGEY-UHFFFAOYSA-N
MW248.25 g/mol
LogP3.12
Rot. Bonds4

About 2-[(3-fluorophenoxy)methyl]-5-methoxyphenol

2-[(3-fluorophenoxy)methyl]-5-methoxyphenol (PubChem CID 117221189) has the molecular formula C14H13FO3 and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-5-methoxyphenol
PubChem CID117221189
Molecular FormulaC14H13FO3
Molecular Weight248.25 g/mol
Exact Mass248.08
IUPAC Name2-[(3-fluorophenoxy)methyl]-5-methoxyphenol
SMILESCOc1ccc(COc2cccc(F)c2)c(O)c1
InChIInChI=1S/C14H13FO3/c1-17-12-6-5-10(14(16)8-12)9-18-13-4-2-3-11(15)7-13/h2-8,16H,9H2,1H3
InChIKeyPXCYMSUNUWEGEY-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

5-amino-2-[(3-fluorophenoxy)methyl]phenol
CID 117219630
5-methoxy-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221300
5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline
CID 64769606
5-methoxy-2-[(4-methylphenoxy)methyl]phenol
CID 117221283
3-[(2-bromo-4-methoxyphenyl)methoxy]phenol
CID 117221199
[4-methoxy-2-[(3-methoxyphenoxy)methyl]phenyl]boronic acid
CID 65327836
5-methyl-2-[(3-methylphenoxy)methyl]phenol
CID 117221129
2-fluoro-6-[(2-fluoro-4-methoxyphenyl)methoxy]naphthalene
CID 139853874
N'-[2-(3-fluorophenoxy)acetyl]-2-(4-methoxyphenyl)acetohydrazide
CID 2670452
5-chloro-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221271
4-[(3-fluorophenoxy)methyl]benzene-1,2-diol
CID 117220383
2-[(3-hydroxyphenoxy)methyl]-5-methylphenol
CID 117221141

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenoxy)methyl]-5-methoxyphenol?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-5-methoxyphenol (CID 117221189) is 2-[(3-fluorophenoxy)methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-5-methoxyphenol?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-5-methoxyphenol is COc1ccc(COc2cccc(F)c2)c(O)c1.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-5-methoxyphenol?
The InChIKey is PXCYMSUNUWEGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO3/c1-17-12-6-5-10(14(16)8-12)9-18-13-4-2-3-11(15)7-13/h2-8,16H,9H2,1H3.
What are the key properties of 2-[(3-fluorophenoxy)methyl]-5-methoxyphenol?
2-[(3-fluorophenoxy)methyl]-5-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 2-[(3-fluorophenoxy)methyl]-5-methoxyphenol is sourced from PubChem (CID 117221189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).