2-[4-fluoro-3-methyl-2,6-di(propan-2-yl)phenyl]acetic acid

C15H21FO2 — CID 145387602

IUPAC2-[4-fluoro-3-methyl-2,6-di(propan-2-yl)phenyl]acetic acid
SMILESCc1c(F)cc(C(C)C)c(CC(=O)O)c1C(C)C
InChIInChI=1S/C15H21FO2/c1-8(2)11-6-13(16)10(5)15(9(3)4)12(11)7-14(17)18/h6,8-9H,7H2,1-5H3,(H,17,18)
InChIKeyOUKIVRLDTBXRMQ-UHFFFAOYSA-N
MW252.33 g/mol
LogP4.01
Rot. Bonds4

About 2-[4-fluoro-3-methyl-2,6-di(propan-2-yl)phenyl]acetic acid

2-[4-fluoro-3-methyl-2,6-di(propan-2-yl)phenyl]acetic acid (PubChem CID 145387602) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[4-fluoro-3-methyl-2,6-di(propan-2-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-fluoro-3-methyl-2,6-di(propan-2-yl)phenyl]acetic acid
PubChem CID145387602
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name2-[4-fluoro-3-methyl-2,6-di(propan-2-yl)phenyl]acetic acid
SMILESCc1c(F)cc(C(C)C)c(CC(=O)O)c1C(C)C
InChIInChI=1S/C15H21FO2/c1-8(2)11-6-13(16)10(5)15(9(3)4)12(11)7-14(17)18/h6,8-9H,7H2,1-5H3,(H,17,18)
InChIKeyOUKIVRLDTBXRMQ-UHFFFAOYSA-N
XLogP4.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-methyl-2,6-di(propan-2-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-fluoro-3-methyl-2,6-di(propan-2-yl)phenyl]acetic acid (CID 145387602) is 2-[4-fluoro-3-methyl-2,6-di(propan-2-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-fluoro-3-methyl-2,6-di(propan-2-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-fluoro-3-methyl-2,6-di(propan-2-yl)phenyl]acetic acid is Cc1c(F)cc(C(C)C)c(CC(=O)O)c1C(C)C.
What is the InChIKey of 2-[4-fluoro-3-methyl-2,6-di(propan-2-yl)phenyl]acetic acid?
The InChIKey is OUKIVRLDTBXRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-8(2)11-6-13(16)10(5)15(9(3)4)12(11)7-14(17)18/h6,8-9H,7H2,1-5H3,(H,17,18).
What are the key properties of 2-[4-fluoro-3-methyl-2,6-di(propan-2-yl)phenyl]acetic acid?
2-[4-fluoro-3-methyl-2,6-di(propan-2-yl)phenyl]acetic acid has a molecular weight of 252.33 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-methyl-2,6-di(propan-2-yl)phenyl]acetic acid is sourced from PubChem (CID 145387602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).