4-fluoro-2-(2-methylnaphthalen-1-yl)benzoic acid

C18H13FO2 — CID 81431051

IUPAC4-fluoro-2-(2-methylnaphthalen-1-yl)benzoic acid
SMILESCc1ccc2ccccc2c1-c1cc(F)ccc1C(=O)O
InChIInChI=1S/C18H13FO2/c1-11-6-7-12-4-2-3-5-14(12)17(11)16-10-13(19)8-9-15(16)18(20)21/h2-10H,1H3,(H,20,21)
InChIKeyNSCVEPVZKHYPIO-UHFFFAOYSA-N
MW280.30 g/mol
LogP4.65
Rot. Bonds2

About 4-fluoro-2-(2-methylnaphthalen-1-yl)benzoic acid

4-fluoro-2-(2-methylnaphthalen-1-yl)benzoic acid (PubChem CID 81431051) has the molecular formula C18H13FO2 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-fluoro-2-(2-methylnaphthalen-1-yl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(2-methylnaphthalen-1-yl)benzoic acid
PubChem CID81431051
Molecular FormulaC18H13FO2
Molecular Weight280.30 g/mol
Exact Mass280.09
IUPAC Name4-fluoro-2-(2-methylnaphthalen-1-yl)benzoic acid
SMILESCc1ccc2ccccc2c1-c1cc(F)ccc1C(=O)O
InChIInChI=1S/C18H13FO2/c1-11-6-7-12-4-2-3-5-14(12)17(11)16-10-13(19)8-9-15(16)18(20)21/h2-10H,1H3,(H,20,21)
InChIKeyNSCVEPVZKHYPIO-UHFFFAOYSA-N
XLogP4.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-fluoro-2-(2-methylnaphthalen-1-yl)phenyl] 4-methylbenzenesulfonate
CID 170552647
4-fluoro-2-[2-(hydroxymethyl)phenyl]benzoic acid
CID 53225310
4-fluoro-2-(2-methoxy-3,4-dimethylphenyl)benzoic acid
CID 103434038
4-fluoro-2-(2-fluorophenyl)benzoic acid
CID 46312310
1-(5-chloro-2-fluorophenyl)-2-methylnaphthalene
CID 146211188
4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid
CID 106681044
6-fluoro-1-methylnaphthalene-2-carboxylic acid
CID 115023270
4-fluoro-2-(2-methylsulfanylphenyl)benzoic acid
CID 53226362
2-fluoro-4-(5-fluoro-2-methylphenyl)benzoic acid
CID 53211117
1-(5-fluoro-2-methylphenyl)-2-naphthalen-1-ylethanone
CID 63409453
2-methyl-1-(2-phenylphenyl)naphthalene
CID 102027516
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-methylnaphthalen-1-yl)benzoic acid?
The IUPAC name of 4-fluoro-2-(2-methylnaphthalen-1-yl)benzoic acid (CID 81431051) is 4-fluoro-2-(2-methylnaphthalen-1-yl)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(2-methylnaphthalen-1-yl)benzoic acid?
The canonical SMILES for 4-fluoro-2-(2-methylnaphthalen-1-yl)benzoic acid is Cc1ccc2ccccc2c1-c1cc(F)ccc1C(=O)O.
What is the InChIKey of 4-fluoro-2-(2-methylnaphthalen-1-yl)benzoic acid?
The InChIKey is NSCVEPVZKHYPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FO2/c1-11-6-7-12-4-2-3-5-14(12)17(11)16-10-13(19)8-9-15(16)18(20)21/h2-10H,1H3,(H,20,21).
What are the key properties of 4-fluoro-2-(2-methylnaphthalen-1-yl)benzoic acid?
4-fluoro-2-(2-methylnaphthalen-1-yl)benzoic acid has a molecular weight of 280.30 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-methylnaphthalen-1-yl)benzoic acid is sourced from PubChem (CID 81431051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).