(2-tert-butyl-5-chloro-3-fluoro-6-methylphenyl)methanol

C12H16ClFO — CID 166835677

IUPAC(2-tert-butyl-5-chloro-3-fluoro-6-methylphenyl)methanol
SMILESCc1c(Cl)cc(F)c(C(C)(C)C)c1CO
InChIInChI=1S/C12H16ClFO/c1-7-8(6-15)11(12(2,3)4)10(14)5-9(7)13/h5,15H,6H2,1-4H3
InChIKeyCBHLTDCKRYQLOJ-UHFFFAOYSA-N
MW230.71 g/mol
LogP3.58
Rot. Bonds1

About (2-tert-butyl-5-chloro-3-fluoro-6-methylphenyl)methanol

(2-tert-butyl-5-chloro-3-fluoro-6-methylphenyl)methanol (PubChem CID 166835677) has the molecular formula C12H16ClFO and a molecular weight of 230.71 g/mol. Its IUPAC name is (2-tert-butyl-5-chloro-3-fluoro-6-methylphenyl)methanol.

Molecular Properties

Compound Name(2-tert-butyl-5-chloro-3-fluoro-6-methylphenyl)methanol
PubChem CID166835677
Molecular FormulaC12H16ClFO
Molecular Weight230.71 g/mol
Exact Mass230.09
IUPAC Name(2-tert-butyl-5-chloro-3-fluoro-6-methylphenyl)methanol
SMILESCc1c(Cl)cc(F)c(C(C)(C)C)c1CO
InChIInChI=1S/C12H16ClFO/c1-7-8(6-15)11(12(2,3)4)10(14)5-9(7)13/h5,15H,6H2,1-4H3
InChIKeyCBHLTDCKRYQLOJ-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-5-chloro-3-fluoro-6-methylphenyl)methanol?
The IUPAC name of (2-tert-butyl-5-chloro-3-fluoro-6-methylphenyl)methanol (CID 166835677) is (2-tert-butyl-5-chloro-3-fluoro-6-methylphenyl)methanol.
What is the SMILES notation for (2-tert-butyl-5-chloro-3-fluoro-6-methylphenyl)methanol?
The canonical SMILES for (2-tert-butyl-5-chloro-3-fluoro-6-methylphenyl)methanol is Cc1c(Cl)cc(F)c(C(C)(C)C)c1CO.
What is the InChIKey of (2-tert-butyl-5-chloro-3-fluoro-6-methylphenyl)methanol?
The InChIKey is CBHLTDCKRYQLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO/c1-7-8(6-15)11(12(2,3)4)10(14)5-9(7)13/h5,15H,6H2,1-4H3.
What are the key properties of (2-tert-butyl-5-chloro-3-fluoro-6-methylphenyl)methanol?
(2-tert-butyl-5-chloro-3-fluoro-6-methylphenyl)methanol has a molecular weight of 230.71 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-5-chloro-3-fluoro-6-methylphenyl)methanol is sourced from PubChem (CID 166835677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).