3-(ethoxymethyl)-2-(2-fluorophenyl)benzoic acid

C16H15FO3 — CID 70305833

IUPAC3-(ethoxymethyl)-2-(2-fluorophenyl)benzoic acid
SMILESCCOCc1cccc(C(=O)O)c1-c1ccccc1F
InChIInChI=1S/C16H15FO3/c1-2-20-10-11-6-5-8-13(16(18)19)15(11)12-7-3-4-9-14(12)17/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyCHGHRZFGDVYWGE-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.73
Rot. Bonds5

About 3-(ethoxymethyl)-2-(2-fluorophenyl)benzoic acid

3-(ethoxymethyl)-2-(2-fluorophenyl)benzoic acid (PubChem CID 70305833) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-(ethoxymethyl)-2-(2-fluorophenyl)benzoic acid.

Molecular Properties

Compound Name3-(ethoxymethyl)-2-(2-fluorophenyl)benzoic acid
PubChem CID70305833
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name3-(ethoxymethyl)-2-(2-fluorophenyl)benzoic acid
SMILESCCOCc1cccc(C(=O)O)c1-c1ccccc1F
InChIInChI=1S/C16H15FO3/c1-2-20-10-11-6-5-8-13(16(18)19)15(11)12-7-3-4-9-14(12)17/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyCHGHRZFGDVYWGE-UHFFFAOYSA-N
XLogP3.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 86730690
CID 86730690
2-[2-(ethoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]benzoic acid
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2-fluoro-3-(phenylmethoxymethyl)benzoic acid
CID 107119649
2-(2,3-difluorophenyl)-3-fluorobenzoic acid
CID 134630571
2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038
2-(1-ethoxypropan-2-yloxy)-3-fluorobenzoic acid
CID 103487194
2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone
CID 82826611
ethane;2-fluorobenzoic acid
CID 91182768
2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 101121393
2-ethyl-3-fluorobenzoic acid
CID 52911005
1,2-bis(ethoxymethyl)-3-phenylbenzene
CID 67372084
1-(2-fluorophenyl)propan-2-one;2-methylbenzene-1,3-dicarboxylic acid
CID 174843246

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-2-(2-fluorophenyl)benzoic acid?
The IUPAC name of 3-(ethoxymethyl)-2-(2-fluorophenyl)benzoic acid (CID 70305833) is 3-(ethoxymethyl)-2-(2-fluorophenyl)benzoic acid.
What is the SMILES notation for 3-(ethoxymethyl)-2-(2-fluorophenyl)benzoic acid?
The canonical SMILES for 3-(ethoxymethyl)-2-(2-fluorophenyl)benzoic acid is CCOCc1cccc(C(=O)O)c1-c1ccccc1F.
What is the InChIKey of 3-(ethoxymethyl)-2-(2-fluorophenyl)benzoic acid?
The InChIKey is CHGHRZFGDVYWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-2-20-10-11-6-5-8-13(16(18)19)15(11)12-7-3-4-9-14(12)17/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of 3-(ethoxymethyl)-2-(2-fluorophenyl)benzoic acid?
3-(ethoxymethyl)-2-(2-fluorophenyl)benzoic acid has a molecular weight of 274.29 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-2-(2-fluorophenyl)benzoic acid is sourced from PubChem (CID 70305833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).