2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol

C23H31FO — CID 11660178

IUPAC2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol
SMILESCCCc1c(C(C)C)cc(C(C)C)c(CCO)c1-c1ccc(F)cc1
InChIInChI=1S/C23H31FO/c1-6-7-19-21(15(2)3)14-22(16(4)5)20(12-13-25)23(19)17-8-10-18(24)11-9-17/h8-11,14-16,25H,6-7,12-13H2,1-5H3
InChIKeyYWAZMOIWLMTGSS-UHFFFAOYSA-N
MW342.50 g/mol
LogP6.23
Rot. Bonds7

About 2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol

2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol (PubChem CID 11660178) has the molecular formula C23H31FO and a molecular weight of 342.50 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol
PubChem CID11660178
Molecular FormulaC23H31FO
Molecular Weight342.50 g/mol
Exact Mass342.24
IUPAC Name2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol
SMILESCCCc1c(C(C)C)cc(C(C)C)c(CCO)c1-c1ccc(F)cc1
InChIInChI=1S/C23H31FO/c1-6-7-19-21(15(2)3)14-22(16(4)5)20(12-13-25)23(19)17-8-10-18(24)11-9-17/h8-11,14-16,25H,6-7,12-13H2,1-5H3
InChIKeyYWAZMOIWLMTGSS-UHFFFAOYSA-N
XLogP6.23
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 ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol?
The IUPAC name of 2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol (CID 11660178) is 2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol?
The canonical SMILES for 2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol is CCCc1c(C(C)C)cc(C(C)C)c(CCO)c1-c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol?
The InChIKey is YWAZMOIWLMTGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FO/c1-6-7-19-21(15(2)3)14-22(16(4)5)20(12-13-25)23(19)17-8-10-18(24)11-9-17/h8-11,14-16,25H,6-7,12-13H2,1-5H3.
What are the key properties of 2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol?
2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol has a molecular weight of 342.50 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol is sourced from PubChem (CID 11660178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).