4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol

C18H21FO — CID 58077888

IUPAC4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(-c2ccc(F)cc2)cc(C(C)C)c1O
InChIInChI=1S/C18H21FO/c1-11(2)16-9-14(10-17(12(3)4)18(16)20)13-5-7-15(19)8-6-13/h5-12,20H,1-4H3
InChIKeyVQIABELQIFVSMK-UHFFFAOYSA-N
MW272.36 g/mol
LogP5.45
Rot. Bonds3

About 4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol

4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol (PubChem CID 58077888) has the molecular formula C18H21FO and a molecular weight of 272.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol
PubChem CID58077888
Molecular FormulaC18H21FO
Molecular Weight272.36 g/mol
Exact Mass272.16
IUPAC Name4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(-c2ccc(F)cc2)cc(C(C)C)c1O
InChIInChI=1S/C18H21FO/c1-11(2)16-9-14(10-17(12(3)4)18(16)20)13-5-7-15(19)8-6-13/h5-12,20H,1-4H3
InChIKeyVQIABELQIFVSMK-UHFFFAOYSA-N
XLogP5.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.36
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol?
The IUPAC name of 4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol (CID 58077888) is 4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol.
What is the SMILES notation for 4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol?
The canonical SMILES for 4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol is CC(C)c1cc(-c2ccc(F)cc2)cc(C(C)C)c1O.
What is the InChIKey of 4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol?
The InChIKey is VQIABELQIFVSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO/c1-11(2)16-9-14(10-17(12(3)4)18(16)20)13-5-7-15(19)8-6-13/h5-12,20H,1-4H3.
What are the key properties of 4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol?
4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol has a molecular weight of 272.36 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol is sourced from PubChem (CID 58077888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).