[4-(3-chloro-4-fluorophenyl)-2,6-dimethylphenyl]methanol

C15H14ClFO — CID 172876857

IUPAC[4-(3-chloro-4-fluorophenyl)-2,6-dimethylphenyl]methanol
SMILESCc1cc(-c2ccc(F)c(Cl)c2)cc(C)c1CO
InChIInChI=1S/C15H14ClFO/c1-9-5-12(6-10(2)13(9)8-18)11-3-4-15(17)14(16)7-11/h3-7,18H,8H2,1-2H3
InChIKeyQTFMITMYVLXOLY-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.26
Rot. Bonds2

About [4-(3-chloro-4-fluorophenyl)-2,6-dimethylphenyl]methanol

[4-(3-chloro-4-fluorophenyl)-2,6-dimethylphenyl]methanol (PubChem CID 172876857) has the molecular formula C15H14ClFO and a molecular weight of 264.73 g/mol. Its IUPAC name is [4-(3-chloro-4-fluorophenyl)-2,6-dimethylphenyl]methanol.

Molecular Properties

Compound Name[4-(3-chloro-4-fluorophenyl)-2,6-dimethylphenyl]methanol
PubChem CID172876857
Molecular FormulaC15H14ClFO
Molecular Weight264.73 g/mol
Exact Mass264.07
IUPAC Name[4-(3-chloro-4-fluorophenyl)-2,6-dimethylphenyl]methanol
SMILESCc1cc(-c2ccc(F)c(Cl)c2)cc(C)c1CO
InChIInChI=1S/C15H14ClFO/c1-9-5-12(6-10(2)13(9)8-18)11-3-4-15(17)14(16)7-11/h3-7,18H,8H2,1-2H3
InChIKeyQTFMITMYVLXOLY-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-fluorophenyl)-2,6-dimethylphenyl]methanol?
The IUPAC name of [4-(3-chloro-4-fluorophenyl)-2,6-dimethylphenyl]methanol (CID 172876857) is [4-(3-chloro-4-fluorophenyl)-2,6-dimethylphenyl]methanol.
What is the SMILES notation for [4-(3-chloro-4-fluorophenyl)-2,6-dimethylphenyl]methanol?
The canonical SMILES for [4-(3-chloro-4-fluorophenyl)-2,6-dimethylphenyl]methanol is Cc1cc(-c2ccc(F)c(Cl)c2)cc(C)c1CO.
What is the InChIKey of [4-(3-chloro-4-fluorophenyl)-2,6-dimethylphenyl]methanol?
The InChIKey is QTFMITMYVLXOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO/c1-9-5-12(6-10(2)13(9)8-18)11-3-4-15(17)14(16)7-11/h3-7,18H,8H2,1-2H3.
What are the key properties of [4-(3-chloro-4-fluorophenyl)-2,6-dimethylphenyl]methanol?
[4-(3-chloro-4-fluorophenyl)-2,6-dimethylphenyl]methanol has a molecular weight of 264.73 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-fluorophenyl)-2,6-dimethylphenyl]methanol is sourced from PubChem (CID 172876857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).