[3-butyl-2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]methanol

C23H31FO — CID 22005025

IUPAC[3-butyl-2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]methanol
SMILESCCCCc1c(C(C)C)cc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C23H31FO/c1-6-7-8-19-20(15(2)3)13-21(16(4)5)22(14-25)23(19)17-9-11-18(24)12-10-17/h9-13,15-16,25H,6-8,14H2,1-5H3
InChIKeyVYBLFXLXIQJOAU-UHFFFAOYSA-N
MW342.50 g/mol
LogP6.57
Rot. Bonds7

About [3-butyl-2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]methanol

[3-butyl-2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]methanol (PubChem CID 22005025) has the molecular formula C23H31FO and a molecular weight of 342.50 g/mol. Its IUPAC name is [3-butyl-2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-butyl-2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]methanol
PubChem CID22005025
Molecular FormulaC23H31FO
Molecular Weight342.50 g/mol
Exact Mass342.24
IUPAC Name[3-butyl-2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]methanol
SMILESCCCCc1c(C(C)C)cc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C23H31FO/c1-6-7-8-19-20(15(2)3)13-21(16(4)5)22(14-25)23(19)17-9-11-18(24)12-10-17/h9-13,15-16,25H,6-8,14H2,1-5H3
InChIKeyVYBLFXLXIQJOAU-UHFFFAOYSA-N
XLogP6.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.50
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Bay 27-9955
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(1,1'-Biphenyl)-4-methanol
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2-Pyrenemethanol
CID 146932

Frequently Asked Questions

What is the IUPAC name of [3-butyl-2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]methanol?
The IUPAC name of [3-butyl-2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]methanol (CID 22005025) is [3-butyl-2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]methanol.
What is the SMILES notation for [3-butyl-2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]methanol?
The canonical SMILES for [3-butyl-2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]methanol is CCCCc1c(C(C)C)cc(C(C)C)c(CO)c1-c1ccc(F)cc1.
What is the InChIKey of [3-butyl-2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]methanol?
The InChIKey is VYBLFXLXIQJOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FO/c1-6-7-8-19-20(15(2)3)13-21(16(4)5)22(14-25)23(19)17-9-11-18(24)12-10-17/h9-13,15-16,25H,6-8,14H2,1-5H3.
What are the key properties of [3-butyl-2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]methanol?
[3-butyl-2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]methanol has a molecular weight of 342.50 g/mol, XLogP of 6.57, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-butyl-2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]methanol is sourced from PubChem (CID 22005025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).