2-[4-fluoro-2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenyl]acetic acid

C18H17FO3 — CID 167761329

IUPAC2-[4-fluoro-2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(F)cc1-c1ccc(C2(CO)CC2)cc1
InChIInChI=1S/C18H17FO3/c19-15-6-3-13(9-17(21)22)16(10-15)12-1-4-14(5-2-12)18(11-20)7-8-18/h1-6,10,20H,7-9,11H2,(H,21,22)
InChIKeyWWHXFUIWXNPLJG-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.14
Rot. Bonds5

About 2-[4-fluoro-2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenyl]acetic acid

2-[4-fluoro-2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenyl]acetic acid (PubChem CID 167761329) has the molecular formula C18H17FO3 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-[4-fluoro-2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-fluoro-2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenyl]acetic acid
PubChem CID167761329
Molecular FormulaC18H17FO3
Molecular Weight300.33 g/mol
Exact Mass300.12
IUPAC Name2-[4-fluoro-2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(F)cc1-c1ccc(C2(CO)CC2)cc1
InChIInChI=1S/C18H17FO3/c19-15-6-3-13(9-17(21)22)16(10-15)12-1-4-14(5-2-12)18(11-20)7-8-18/h1-6,10,20H,7-9,11H2,(H,21,22)
InChIKeyWWHXFUIWXNPLJG-UHFFFAOYSA-N
XLogP3.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-fluoro-2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenyl]acetic acid (CID 167761329) is 2-[4-fluoro-2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-fluoro-2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-fluoro-2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenyl]acetic acid is O=C(O)Cc1ccc(F)cc1-c1ccc(C2(CO)CC2)cc1.
What is the InChIKey of 2-[4-fluoro-2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenyl]acetic acid?
The InChIKey is WWHXFUIWXNPLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO3/c19-15-6-3-13(9-17(21)22)16(10-15)12-1-4-14(5-2-12)18(11-20)7-8-18/h1-6,10,20H,7-9,11H2,(H,21,22).
What are the key properties of 2-[4-fluoro-2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenyl]acetic acid?
2-[4-fluoro-2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenyl]acetic acid has a molecular weight of 300.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenyl]acetic acid is sourced from PubChem (CID 167761329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).