1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol

C18H20F2O — CID 115781937

IUPAC1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(CC(O)c2cc(C)c(F)cc2F)c(C)c1
InChIInChI=1S/C18H20F2O/c1-10-5-11(2)14(12(3)6-10)8-18(21)15-7-13(4)16(19)9-17(15)20/h5-7,9,18,21H,8H2,1-4H3
InChIKeyDDBZBJBXARNINB-UHFFFAOYSA-N
MW290.35 g/mol
LogP4.47
Rot. Bonds3

About 1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol

1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol (PubChem CID 115781937) has the molecular formula C18H20F2O and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
PubChem CID115781937
Molecular FormulaC18H20F2O
Molecular Weight290.35 g/mol
Exact Mass290.15
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(CC(O)c2cc(C)c(F)cc2F)c(C)c1
InChIInChI=1S/C18H20F2O/c1-10-5-11(2)14(12(3)6-10)8-18(21)15-7-13(4)16(19)9-17(15)20/h5-7,9,18,21H,8H2,1-4H3
InChIKeyDDBZBJBXARNINB-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 82759417
1-(2,4-difluoro-5-methylphenyl)-2-phenylethanol
CID 79731266
1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 63410710
2-(4-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115788462
1-(2,4-difluoro-5-methylphenyl)-2-thiophen-3-ylethanol
CID 113396557
2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115779414
(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 82759306
(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol
CID 83001188
[1-(2,4-difluoro-5-methylphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
CID 105329197
1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol
CID 115828495
[1-(2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105216946
1-(2,4-difluoro-5-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 115813820

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol (CID 115781937) is 1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(CC(O)c2cc(C)c(F)cc2F)c(C)c1.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is DDBZBJBXARNINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2O/c1-10-5-11(2)14(12(3)6-10)8-18(21)15-7-13(4)16(19)9-17(15)20/h5-7,9,18,21H,8H2,1-4H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol?
1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 290.35 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 115781937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).