4-(2,5-dimethoxyphenyl)-2-fluorophenol

C14H13FO3 — CID 53219549

IUPAC4-(2,5-dimethoxyphenyl)-2-fluorophenol
SMILESCOc1ccc(OC)c(-c2ccc(O)c(F)c2)c1
InChIInChI=1S/C14H13FO3/c1-17-10-4-6-14(18-2)11(8-10)9-3-5-13(16)12(15)7-9/h3-8,16H,1-2H3
InChIKeyXPKDLEYZFJELSL-UHFFFAOYSA-N
MW248.25 g/mol
LogP3.22
Rot. Bonds3

About 4-(2,5-dimethoxyphenyl)-2-fluorophenol

4-(2,5-dimethoxyphenyl)-2-fluorophenol (PubChem CID 53219549) has the molecular formula C14H13FO3 and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-2-fluorophenol.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-2-fluorophenol
PubChem CID53219549
Molecular FormulaC14H13FO3
Molecular Weight248.25 g/mol
Exact Mass248.08
IUPAC Name4-(2,5-dimethoxyphenyl)-2-fluorophenol
SMILESCOc1ccc(OC)c(-c2ccc(O)c(F)c2)c1
InChIInChI=1S/C14H13FO3/c1-17-10-4-6-14(18-2)11(8-10)9-3-5-13(16)12(15)7-9/h3-8,16H,1-2H3
InChIKeyXPKDLEYZFJELSL-UHFFFAOYSA-N
XLogP3.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenol
CID 53219462
4-(2,5-dimethoxyphenyl)-2-methylphenol
CID 53219026
2-fluoro-4-(2-methoxyphenyl)phenol
CID 53219298
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
5-(2-fluoro-4-methoxyphenyl)-2-methoxyphenol
CID 53220882
6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 71476627
5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzonitrile
CID 53220005
5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde
CID 53220437
4-(2,5-dimethoxyphenyl)-2-[(2-methylpropylamino)methyl]phenol
CID 45488727
2-(2,5-dimethoxyphenyl)-1-fluoro-3,5-diphenylbenzene;2-(2-fluoro-4,6-diphenylphenyl)benzene-1,4-diol
CID 157319564
2-(4-chlorophenyl)-4-methoxyphenol
CID 57199343
1-fluoro-4-methoxy-2-(2-methoxyphenyl)benzene
CID 69262125

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-2-fluorophenol?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-2-fluorophenol (CID 53219549) is 4-(2,5-dimethoxyphenyl)-2-fluorophenol.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-2-fluorophenol?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-2-fluorophenol is COc1ccc(OC)c(-c2ccc(O)c(F)c2)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-2-fluorophenol?
The InChIKey is XPKDLEYZFJELSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO3/c1-17-10-4-6-14(18-2)11(8-10)9-3-5-13(16)12(15)7-9/h3-8,16H,1-2H3.
What are the key properties of 4-(2,5-dimethoxyphenyl)-2-fluorophenol?
4-(2,5-dimethoxyphenyl)-2-fluorophenol has a molecular weight of 248.25 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-2-fluorophenol is sourced from PubChem (CID 53219549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).