2-[7-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid

C19H19FO3 — CID 110447418

IUPAC2-[7-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
SMILESCOc1ccc(-c2ccc3c(c2)C(CC(=O)O)CCC3)c(F)c1
InChIInChI=1S/C19H19FO3/c1-23-15-7-8-16(18(20)11-15)14-6-5-12-3-2-4-13(10-19(21)22)17(12)9-14/h5-9,11,13H,2-4,10H2,1H3,(H,21,22)
InChIKeyWWBCLSFBCONYLZ-UHFFFAOYSA-N
MW314.36 g/mol
LogP4.40
Rot. Bonds4

About 2-[7-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid

2-[7-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid (PubChem CID 110447418) has the molecular formula C19H19FO3 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-[7-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid.

Molecular Properties

Compound Name2-[7-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
PubChem CID110447418
Molecular FormulaC19H19FO3
Molecular Weight314.36 g/mol
Exact Mass314.13
IUPAC Name2-[7-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
SMILESCOc1ccc(-c2ccc3c(c2)C(CC(=O)O)CCC3)c(F)c1
InChIInChI=1S/C19H19FO3/c1-23-15-7-8-16(18(20)11-15)14-6-5-12-3-2-4-13(10-19(21)22)17(12)9-14/h5-9,11,13H,2-4,10H2,1H3,(H,21,22)
InChIKeyWWBCLSFBCONYLZ-UHFFFAOYSA-N
XLogP4.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 82543452
2-(6-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetic acid
CID 141011089
2-(7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 82543388
2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 68629787
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
2-[6-[2-(4-methoxyphenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 69177503
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
2-[7-[[3-(2,2-dimethylpentyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 143977306
2-[(1R)-7-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 59590754
2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84790872
7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 175973526

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid?
The IUPAC name of 2-[7-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid (CID 110447418) is 2-[7-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid.
What is the SMILES notation for 2-[7-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid?
The canonical SMILES for 2-[7-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid is COc1ccc(-c2ccc3c(c2)C(CC(=O)O)CCC3)c(F)c1.
What is the InChIKey of 2-[7-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid?
The InChIKey is WWBCLSFBCONYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO3/c1-23-15-7-8-16(18(20)11-15)14-6-5-12-3-2-4-13(10-19(21)22)17(12)9-14/h5-9,11,13H,2-4,10H2,1H3,(H,21,22).
What are the key properties of 2-[7-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid?
2-[7-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid has a molecular weight of 314.36 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid is sourced from PubChem (CID 110447418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).