[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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Related Compounds

[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]methanol
CID 172876855
1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene
CID 142366576
[5-(3-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 82878332
(3-chloro-6-fluoro-2-methylphenyl)methanol
CID 84766744
(6-chloro-3-fluoro-2-methylphenyl)methanol
CID 130839356
2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene
CID 130359097
1-[2-chloro-4-(4-fluoro-3-methylphenyl)phenyl]ethanone
CID 82769801
[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol
CID 63086692
2-chloro-4-(3-chloro-4-fluorophenyl)aniline
CID 107607731
1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine
CID 172876693
[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol
CID 90062081
[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]methanol
CID 172876842

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).