[4-tert-butyl-2-(4-fluorophenyl)-6-propan-2-ylphenyl]methanol

C20H25FO — CID 15015051

IUPAC[4-tert-butyl-2-(4-fluorophenyl)-6-propan-2-ylphenyl]methanol
SMILESCC(C)c1cc(C(C)(C)C)cc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C20H25FO/c1-13(2)17-10-15(20(3,4)5)11-18(19(17)12-22)14-6-8-16(21)9-7-14/h6-11,13,22H,12H2,1-5H3
InChIKeyCRTLFEMUURZLGO-UHFFFAOYSA-N
MW300.42 g/mol
LogP5.41
Rot. Bonds3

About [4-tert-butyl-2-(4-fluorophenyl)-6-propan-2-ylphenyl]methanol

[4-tert-butyl-2-(4-fluorophenyl)-6-propan-2-ylphenyl]methanol (PubChem CID 15015051) has the molecular formula C20H25FO and a molecular weight of 300.42 g/mol. Its IUPAC name is [4-tert-butyl-2-(4-fluorophenyl)-6-propan-2-ylphenyl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-(4-fluorophenyl)-6-propan-2-ylphenyl]methanol
PubChem CID15015051
Molecular FormulaC20H25FO
Molecular Weight300.42 g/mol
Exact Mass300.19
IUPAC Name[4-tert-butyl-2-(4-fluorophenyl)-6-propan-2-ylphenyl]methanol
SMILESCC(C)c1cc(C(C)(C)C)cc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C20H25FO/c1-13(2)17-10-15(20(3,4)5)11-18(19(17)12-22)14-6-8-16(21)9-7-14/h6-11,13,22H,12H2,1-5H3
InChIKeyCRTLFEMUURZLGO-UHFFFAOYSA-N
XLogP5.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.42
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(4-fluorophenyl)-6-propan-2-ylphenyl]methanol?
The IUPAC name of [4-tert-butyl-2-(4-fluorophenyl)-6-propan-2-ylphenyl]methanol (CID 15015051) is [4-tert-butyl-2-(4-fluorophenyl)-6-propan-2-ylphenyl]methanol.
What is the SMILES notation for [4-tert-butyl-2-(4-fluorophenyl)-6-propan-2-ylphenyl]methanol?
The canonical SMILES for [4-tert-butyl-2-(4-fluorophenyl)-6-propan-2-ylphenyl]methanol is CC(C)c1cc(C(C)(C)C)cc(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [4-tert-butyl-2-(4-fluorophenyl)-6-propan-2-ylphenyl]methanol?
The InChIKey is CRTLFEMUURZLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FO/c1-13(2)17-10-15(20(3,4)5)11-18(19(17)12-22)14-6-8-16(21)9-7-14/h6-11,13,22H,12H2,1-5H3.
What are the key properties of [4-tert-butyl-2-(4-fluorophenyl)-6-propan-2-ylphenyl]methanol?
[4-tert-butyl-2-(4-fluorophenyl)-6-propan-2-ylphenyl]methanol has a molecular weight of 300.42 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(4-fluorophenyl)-6-propan-2-ylphenyl]methanol is sourced from PubChem (CID 15015051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).