ethane;4-(3-fluorophenyl)-2-methylbenzoic acid

C16H17FO2 — CID 143634129

IUPACethane;4-(3-fluorophenyl)-2-methylbenzoic acid
SMILESCC.Cc1cc(-c2cccc(F)c2)ccc1C(=O)O
InChIInChI=1S/C14H11FO2.C2H6/c1-9-7-11(5-6-13(9)14(16)17)10-3-2-4-12(15)8-10;1-2/h2-8H,1H3,(H,16,17);1-2H3
InChIKeyFWAPCRDHSLNVOA-UHFFFAOYSA-N
MW260.31 g/mol
LogP4.53
Rot. Bonds2

About ethane;4-(3-fluorophenyl)-2-methylbenzoic acid

ethane;4-(3-fluorophenyl)-2-methylbenzoic acid (PubChem CID 143634129) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is ethane;4-(3-fluorophenyl)-2-methylbenzoic acid.

Molecular Properties

Compound Nameethane;4-(3-fluorophenyl)-2-methylbenzoic acid
PubChem CID143634129
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Nameethane;4-(3-fluorophenyl)-2-methylbenzoic acid
SMILESCC.Cc1cc(-c2cccc(F)c2)ccc1C(=O)O
InChIInChI=1S/C14H11FO2.C2H6/c1-9-7-11(5-6-13(9)14(16)17)10-3-2-4-12(15)8-10;1-2/h2-8H,1H3,(H,16,17);1-2H3
InChIKeyFWAPCRDHSLNVOA-UHFFFAOYSA-N
XLogP4.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-fluorophenyl)-2-methylbenzoic acid
CID 46314576
4-[[4-(3-fluorophenyl)phenyl]sulfamoylmethyl]-2-methylbenzoic acid
CID 138697424
1-[2-chloro-4-(3-fluorophenyl)phenyl]ethanone
CID 82770292
6-(3-fluorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 114872883
2-methyl-4-[4-[1,2,2-tris[4-(4-carboxy-3-methylphenyl)phenyl]ethyl]phenyl]benzoic acid
CID 123556870
1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone
CID 20716213
methyl 2-fluoro-4-(3-fluorophenyl)benzoate
CID 75488480
2-methyl-4-phenylbenzoate
CID 21114953
4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylbenzoic acid
CID 155410143
5-(3-fluorophenyl)-2-methoxypyridine-3-carboxylic acid
CID 46314070
2-methyl-5-(3-methylphenyl)benzoic acid
CID 65309585
2-chloro-4-(3-fluorophenyl)benzoate
CID 86307112

Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-fluorophenyl)-2-methylbenzoic acid?
The IUPAC name of ethane;4-(3-fluorophenyl)-2-methylbenzoic acid (CID 143634129) is ethane;4-(3-fluorophenyl)-2-methylbenzoic acid.
What is the SMILES notation for ethane;4-(3-fluorophenyl)-2-methylbenzoic acid?
The canonical SMILES for ethane;4-(3-fluorophenyl)-2-methylbenzoic acid is CC.Cc1cc(-c2cccc(F)c2)ccc1C(=O)O.
What is the InChIKey of ethane;4-(3-fluorophenyl)-2-methylbenzoic acid?
The InChIKey is FWAPCRDHSLNVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2.C2H6/c1-9-7-11(5-6-13(9)14(16)17)10-3-2-4-12(15)8-10;1-2/h2-8H,1H3,(H,16,17);1-2H3.
What are the key properties of ethane;4-(3-fluorophenyl)-2-methylbenzoic acid?
ethane;4-(3-fluorophenyl)-2-methylbenzoic acid has a molecular weight of 260.31 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-fluorophenyl)-2-methylbenzoic acid is sourced from PubChem (CID 143634129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).