2-[2-cyclohexyl-4-(4-fluorophenyl)phenoxy]acetic acid

C20H21FO3 — CID 11667039

IUPAC2-[2-cyclohexyl-4-(4-fluorophenyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2ccc(F)cc2)cc1C1CCCCC1
InChIInChI=1S/C20H21FO3/c21-17-9-6-14(7-10-17)16-8-11-19(24-13-20(22)23)18(12-16)15-4-2-1-3-5-15/h6-12,15H,1-5,13H2,(H,22,23)
InChIKeyPHEMHGURIBIMIT-UHFFFAOYSA-N
MW328.38 g/mol
LogP5.00
Rot. Bonds5

About 2-[2-cyclohexyl-4-(4-fluorophenyl)phenoxy]acetic acid

2-[2-cyclohexyl-4-(4-fluorophenyl)phenoxy]acetic acid (PubChem CID 11667039) has the molecular formula C20H21FO3 and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-[2-cyclohexyl-4-(4-fluorophenyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-cyclohexyl-4-(4-fluorophenyl)phenoxy]acetic acid
PubChem CID11667039
Molecular FormulaC20H21FO3
Molecular Weight328.38 g/mol
Exact Mass328.15
IUPAC Name2-[2-cyclohexyl-4-(4-fluorophenyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2ccc(F)cc2)cc1C1CCCCC1
InChIInChI=1S/C20H21FO3/c21-17-9-6-14(7-10-17)16-8-11-19(24-13-20(22)23)18(12-16)15-4-2-1-3-5-15/h6-12,15H,1-5,13H2,(H,22,23)
InChIKeyPHEMHGURIBIMIT-UHFFFAOYSA-N
XLogP5.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.38
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclohexyl-4-(4-fluorophenyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-cyclohexyl-4-(4-fluorophenyl)phenoxy]acetic acid (CID 11667039) is 2-[2-cyclohexyl-4-(4-fluorophenyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-cyclohexyl-4-(4-fluorophenyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-cyclohexyl-4-(4-fluorophenyl)phenoxy]acetic acid is O=C(O)COc1ccc(-c2ccc(F)cc2)cc1C1CCCCC1.
What is the InChIKey of 2-[2-cyclohexyl-4-(4-fluorophenyl)phenoxy]acetic acid?
The InChIKey is PHEMHGURIBIMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FO3/c21-17-9-6-14(7-10-17)16-8-11-19(24-13-20(22)23)18(12-16)15-4-2-1-3-5-15/h6-12,15H,1-5,13H2,(H,22,23).
What are the key properties of 2-[2-cyclohexyl-4-(4-fluorophenyl)phenoxy]acetic acid?
2-[2-cyclohexyl-4-(4-fluorophenyl)phenoxy]acetic acid has a molecular weight of 328.38 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclohexyl-4-(4-fluorophenyl)phenoxy]acetic acid is sourced from PubChem (CID 11667039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).