1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol

C23H31FO — CID 5311277

IUPAC1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol
SMILESCCCc1c(C(C)C)cc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1
InChIInChI=1S/C23H31FO/c1-7-8-19-20(14(2)3)13-21(15(4)5)22(16(6)25)23(19)17-9-11-18(24)12-10-17/h9-16,25H,7-8H2,1-6H3
InChIKeyVDTWKXAPIQBOMO-UHFFFAOYSA-N
MW342.50 g/mol
LogP6.75
Rot. Bonds6

About 1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol

1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol (PubChem CID 5311277) has the molecular formula C23H31FO and a molecular weight of 342.50 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol
PubChem CID5311277
Molecular FormulaC23H31FO
Molecular Weight342.50 g/mol
Exact Mass342.24
IUPAC Name1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol
SMILESCCCc1c(C(C)C)cc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1
InChIInChI=1S/C23H31FO/c1-7-8-19-20(14(2)3)13-21(15(4)5)22(16(6)25)23(19)17-9-11-18(24)12-10-17/h9-16,25H,7-8H2,1-6H3
InChIKeyVDTWKXAPIQBOMO-UHFFFAOYSA-N
XLogP6.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.50
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol?
The IUPAC name of 1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol (CID 5311277) is 1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol?
The canonical SMILES for 1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol is CCCc1c(C(C)C)cc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol?
The InChIKey is VDTWKXAPIQBOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FO/c1-7-8-19-20(14(2)3)13-21(15(4)5)22(16(6)25)23(19)17-9-11-18(24)12-10-17/h9-16,25H,7-8H2,1-6H3.
What are the key properties of 1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol?
1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol has a molecular weight of 342.50 g/mol, XLogP of 6.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol is sourced from PubChem (CID 5311277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).