2-[4-(3-fluorophenyl)phenyl]acetic acid;methane

C15H15FO2 — CID 67899912

IUPAC2-[4-(3-fluorophenyl)phenyl]acetic acid;methane
SMILESC.O=C(O)Cc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C14H11FO2.CH4/c15-13-3-1-2-12(9-13)11-6-4-10(5-7-11)8-14(16)17;/h1-7,9H,8H2,(H,16,17);1H4
InChIKeyXPWTYAGDYQWTMY-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.76
Rot. Bonds3

About 2-[4-(3-fluorophenyl)phenyl]acetic acid;methane

2-[4-(3-fluorophenyl)phenyl]acetic acid;methane (PubChem CID 67899912) has the molecular formula C15H15FO2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)phenyl]acetic acid;methane.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)phenyl]acetic acid;methane
PubChem CID67899912
Molecular FormulaC15H15FO2
Molecular Weight246.28 g/mol
Exact Mass246.11
IUPAC Name2-[4-(3-fluorophenyl)phenyl]acetic acid;methane
SMILESC.O=C(O)Cc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C14H11FO2.CH4/c15-13-3-1-2-12(9-13)11-6-4-10(5-7-11)8-14(16)17;/h1-7,9H,8H2,(H,16,17);1H4
InChIKeyXPWTYAGDYQWTMY-UHFFFAOYSA-N
XLogP3.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[4-(3-fluorophenyl)phenyl]acetic acid;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-fluorophenyl)phenyl]acetamide
CID 143262038
(E)-4-[4-(3-fluorophenyl)phenyl]-3-methylbut-2-enoic acid
CID 82544060
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629
calcium;hydride;2-(4-phenylphenyl)acetic acid
CID 174946649
2-[4-(3-fluorobenzoyl)phenyl]acetic acid
CID 82120891
3-[4-(carboxymethyl)phenyl]-5-fluorobenzoic acid
CID 70699869
2-[4-(3-nitrophenyl)phenyl]acetic acid
CID 82039210
2-[4-[3-(dimethylamino)phenyl]phenyl]acetic acid
CID 39226081
2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314293
2-[2-(3-fluorophenyl)-3-pyridinyl]acetic acid
CID 117001575
2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid
CID 1394294
2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid
CID 155509609

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)phenyl]acetic acid;methane?
The IUPAC name of 2-[4-(3-fluorophenyl)phenyl]acetic acid;methane (CID 67899912) is 2-[4-(3-fluorophenyl)phenyl]acetic acid;methane.
What is the SMILES notation for 2-[4-(3-fluorophenyl)phenyl]acetic acid;methane?
The canonical SMILES for 2-[4-(3-fluorophenyl)phenyl]acetic acid;methane is C.O=C(O)Cc1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of 2-[4-(3-fluorophenyl)phenyl]acetic acid;methane?
The InChIKey is XPWTYAGDYQWTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2.CH4/c15-13-3-1-2-12(9-13)11-6-4-10(5-7-11)8-14(16)17;/h1-7,9H,8H2,(H,16,17);1H4.
What are the key properties of 2-[4-(3-fluorophenyl)phenyl]acetic acid;methane?
2-[4-(3-fluorophenyl)phenyl]acetic acid;methane has a molecular weight of 246.28 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)phenyl]acetic acid;methane is sourced from PubChem (CID 67899912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).