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

C22H21FO — CID 141114288

IUPAC4-[(2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol
SMILESCc1cccc(C)c1Cc1ccc(O)c(Cc2ccc(F)cc2)c1
InChIInChI=1S/C22H21FO/c1-15-4-3-5-16(2)21(15)14-18-8-11-22(24)19(13-18)12-17-6-9-20(23)10-7-17/h3-11,13,24H,12,14H2,1-2H3
InChIKeyRXOIUWSVNPXVKS-UHFFFAOYSA-N
MW320.41 g/mol
LogP5.33
Rot. Bonds4

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

4-[(2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol (PubChem CID 141114288) has the molecular formula C22H21FO and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol.

Molecular Properties

Compound Name4-[(2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol
PubChem CID141114288
Molecular FormulaC22H21FO
Molecular Weight320.41 g/mol
Exact Mass320.16
IUPAC Name4-[(2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol
SMILESCc1cccc(C)c1Cc1ccc(O)c(Cc2ccc(F)cc2)c1
InChIInChI=1S/C22H21FO/c1-15-4-3-5-16(2)21(15)14-18-8-11-22(24)19(13-18)12-17-6-9-20(23)10-7-17/h3-11,13,24H,12,14H2,1-2H3
InChIKeyRXOIUWSVNPXVKS-UHFFFAOYSA-N
XLogP5.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.41
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol?
The IUPAC name of 4-[(2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol (CID 141114288) is 4-[(2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol.
What is the SMILES notation for 4-[(2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol?
The canonical SMILES for 4-[(2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol is Cc1cccc(C)c1Cc1ccc(O)c(Cc2ccc(F)cc2)c1.
What is the InChIKey of 4-[(2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol?
The InChIKey is RXOIUWSVNPXVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FO/c1-15-4-3-5-16(2)21(15)14-18-8-11-22(24)19(13-18)12-17-6-9-20(23)10-7-17/h3-11,13,24H,12,14H2,1-2H3.
What are the key properties of 4-[(2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol?
4-[(2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol has a molecular weight of 320.41 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol is sourced from PubChem (CID 141114288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).