(2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol

C17H18ClFO — CID 105397590

IUPAC(2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol
SMILESCC(C)(C)c1ccccc1C(O)c1cc(F)ccc1Cl
InChIInChI=1S/C17H18ClFO/c1-17(2,3)14-7-5-4-6-12(14)16(20)13-10-11(19)8-9-15(13)18/h4-10,16,20H,1-3H3
InChIKeySUJDUWCYWIOLLI-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.86
Rot. Bonds2

About (2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol

(2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol (PubChem CID 105397590) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is (2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol.

Molecular Properties

Compound Name(2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol
PubChem CID105397590
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name(2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol
SMILESCC(C)(C)c1ccccc1C(O)c1cc(F)ccc1Cl
InChIInChI=1S/C17H18ClFO/c1-17(2,3)14-7-5-4-6-12(14)16(20)13-10-11(19)8-9-15(13)18/h4-10,16,20H,1-3H3
InChIKeySUJDUWCYWIOLLI-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.78
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol 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

(2-tert-butylphenyl)-(2-chlorophenyl)methanol
CID 114980515
(2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484576
(3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397701
(5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 115796079
(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 104546182
(2-tert-butylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 115852087
(2-tert-butylphenyl)-phenylmethanol
CID 19438357
(2-chloro-5-fluorophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 105394068
1-(2-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103043527
1-(2-tert-butylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852086
(2-chloro-5-fluorophenyl)methanediol
CID 71441110
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
CID 81045704

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol?
The IUPAC name of (2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol (CID 105397590) is (2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol.
What is the SMILES notation for (2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol?
The canonical SMILES for (2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol is CC(C)(C)c1ccccc1C(O)c1cc(F)ccc1Cl.
What is the InChIKey of (2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol?
The InChIKey is SUJDUWCYWIOLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c1-17(2,3)14-7-5-4-6-12(14)16(20)13-10-11(19)8-9-15(13)18/h4-10,16,20H,1-3H3.
What are the key properties of (2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol?
(2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol has a molecular weight of 292.78 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol is sourced from PubChem (CID 105397590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).