2-(5-fluoro-2-methoxyphenyl)cycloheptane-1-carboxylic acid

C15H19FO3 — CID 82782977

IUPAC2-(5-fluoro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
SMILESCOc1ccc(F)cc1C1CCCCCC1C(=O)O
InChIInChI=1S/C15H19FO3/c1-19-14-8-7-10(16)9-13(14)11-5-3-2-4-6-12(11)15(17)18/h7-9,11-12H,2-6H2,1H3,(H,17,18)
InChIKeyFPBBUJPTAGAACX-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.58
Rot. Bonds3

About 2-(5-fluoro-2-methoxyphenyl)cycloheptane-1-carboxylic acid

2-(5-fluoro-2-methoxyphenyl)cycloheptane-1-carboxylic acid (PubChem CID 82782977) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
PubChem CID82782977
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name2-(5-fluoro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
SMILESCOc1ccc(F)cc1C1CCCCCC1C(=O)O
InChIInChI=1S/C15H19FO3/c1-19-14-8-7-10(16)9-13(14)11-5-3-2-4-6-12(11)15(17)18/h7-9,11-12H,2-6H2,1H3,(H,17,18)
InChIKeyFPBBUJPTAGAACX-UHFFFAOYSA-N
XLogP3.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-5-methylphenyl)cycloheptane-1-carboxylic acid
CID 81008451
2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 81009100
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026
[2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 82782278
N-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine
CID 82783172
2-(5-fluoro-2-methoxyphenyl)-N-methylcyclopentan-1-amine
CID 82782828
2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 81008472
2-(3-methoxy-2-pyridinyl)cycloheptane-1-carboxylic acid
CID 114054225
2-(4-chloro-3-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 81021525
2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-one
CID 82781917
2-[(3-fluoro-4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43529188
2-(5-bromo-2-fluorophenyl)cycloheptane-1-carboxylic acid
CID 81008326

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)cycloheptane-1-carboxylic acid?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)cycloheptane-1-carboxylic acid (CID 82782977) is 2-(5-fluoro-2-methoxyphenyl)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)cycloheptane-1-carboxylic acid is COc1ccc(F)cc1C1CCCCCC1C(=O)O.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)cycloheptane-1-carboxylic acid?
The InChIKey is FPBBUJPTAGAACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-19-14-8-7-10(16)9-13(14)11-5-3-2-4-6-12(11)15(17)18/h7-9,11-12H,2-6H2,1H3,(H,17,18).
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)cycloheptane-1-carboxylic acid?
2-(5-fluoro-2-methoxyphenyl)cycloheptane-1-carboxylic acid has a molecular weight of 266.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 82782977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).