4-(2,6-dimethylphenoxy)-2-[(4-fluorophenyl)methyl]phenol

C21H19FO2 — CID 141126761

IUPAC4-(2,6-dimethylphenoxy)-2-[(4-fluorophenyl)methyl]phenol
SMILESCc1cccc(C)c1Oc1ccc(O)c(Cc2ccc(F)cc2)c1
InChIInChI=1S/C21H19FO2/c1-14-4-3-5-15(2)21(14)24-19-10-11-20(23)17(13-19)12-16-6-8-18(22)9-7-16/h3-11,13,23H,12H2,1-2H3
InChIKeyWVCFXBJJRUDBQH-UHFFFAOYSA-N
MW322.38 g/mol
LogP5.53
Rot. Bonds4

About 4-(2,6-dimethylphenoxy)-2-[(4-fluorophenyl)methyl]phenol

4-(2,6-dimethylphenoxy)-2-[(4-fluorophenyl)methyl]phenol (PubChem CID 141126761) has the molecular formula C21H19FO2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 4-(2,6-dimethylphenoxy)-2-[(4-fluorophenyl)methyl]phenol.

Molecular Properties

Compound Name4-(2,6-dimethylphenoxy)-2-[(4-fluorophenyl)methyl]phenol
PubChem CID141126761
Molecular FormulaC21H19FO2
Molecular Weight322.38 g/mol
Exact Mass322.14
IUPAC Name4-(2,6-dimethylphenoxy)-2-[(4-fluorophenyl)methyl]phenol
SMILESCc1cccc(C)c1Oc1ccc(O)c(Cc2ccc(F)cc2)c1
InChIInChI=1S/C21H19FO2/c1-14-4-3-5-15(2)21(14)24-19-10-11-20(23)17(13-19)12-16-6-8-18(22)9-7-16/h3-11,13,23H,12H2,1-2H3
InChIKeyWVCFXBJJRUDBQH-UHFFFAOYSA-N
XLogP5.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.38
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol
CID 141114288
ethyl 2-[4-[2-[3-[(4-fluorophenyl)methyl]-4-hydroxyphenoxy]phenoxy]-3,5-dimethylanilino]-2-oxoacetate
CID 54354262
2-[[7-[3-[(4-fluorophenyl)methyl]-4-hydroxyphenoxy]-6-methyl-2,3-dihydro-1H-indene-4-carbonyl]amino]acetic acid
CID 10151541
4-[2,6-dichloro-4-[[ethoxy(ethyl)phosphoryl]oxymethyl]phenoxy]-2-[(4-fluorophenyl)methyl]phenol
CID 87087424
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298
4-bromo-2-[(4-fluorophenyl)methyl]phenol
CID 68530716
4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol
CID 90980737
4-fluoro-2-[(3-methylphenyl)methyl]phenol
CID 59108977
3-[3-[[5-(2,6-dimethyl-4-nitrophenoxy)-2-hydroxyphenyl]methyl]phenyl]prop-2-enoic acid
CID 139998737
4-[4-[4-[4-hydroxy-3-(2-methylpropyl)phenoxy]-2,6-dimethylphenoxy]phenoxy]-2-(2-methylpropyl)phenol
CID 70442236
2-(4-fluorophenyl)sulfanyl-4-(2,4,6-trimethylphenoxy)phenol
CID 142018538
1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-(4-fluorophenoxy)benzene
CID 67351742

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenoxy)-2-[(4-fluorophenyl)methyl]phenol?
The IUPAC name of 4-(2,6-dimethylphenoxy)-2-[(4-fluorophenyl)methyl]phenol (CID 141126761) is 4-(2,6-dimethylphenoxy)-2-[(4-fluorophenyl)methyl]phenol.
What is the SMILES notation for 4-(2,6-dimethylphenoxy)-2-[(4-fluorophenyl)methyl]phenol?
The canonical SMILES for 4-(2,6-dimethylphenoxy)-2-[(4-fluorophenyl)methyl]phenol is Cc1cccc(C)c1Oc1ccc(O)c(Cc2ccc(F)cc2)c1.
What is the InChIKey of 4-(2,6-dimethylphenoxy)-2-[(4-fluorophenyl)methyl]phenol?
The InChIKey is WVCFXBJJRUDBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FO2/c1-14-4-3-5-15(2)21(14)24-19-10-11-20(23)17(13-19)12-16-6-8-18(22)9-7-16/h3-11,13,23H,12H2,1-2H3.
What are the key properties of 4-(2,6-dimethylphenoxy)-2-[(4-fluorophenyl)methyl]phenol?
4-(2,6-dimethylphenoxy)-2-[(4-fluorophenyl)methyl]phenol has a molecular weight of 322.38 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenoxy)-2-[(4-fluorophenyl)methyl]phenol is sourced from PubChem (CID 141126761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).