2-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid

C13H15FO3 — CID 117348841

IUPAC2-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
SMILESCOc1cc(CC(=O)O)c(F)c2c1CCCC2
InChIInChI=1S/C13H15FO3/c1-17-11-6-8(7-12(15)16)13(14)10-5-3-2-4-9(10)11/h6H,2-5,7H2,1H3,(H,15,16)
InChIKeyNXLXGFFKRLBHIH-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.34
Rot. Bonds3

About 2-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid

2-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid (PubChem CID 117348841) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
PubChem CID117348841
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name2-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
SMILESCOc1cc(CC(=O)O)c(F)c2c1CCCC2
InChIInChI=1S/C13H15FO3/c1-17-11-6-8(7-12(15)16)13(14)10-5-3-2-4-9(10)11/h6H,2-5,7H2,1H3,(H,15,16)
InChIKeyNXLXGFFKRLBHIH-UHFFFAOYSA-N
XLogP2.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
CID 117382057
1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine
CID 117446549
1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone
CID 117381240
1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-one
CID 117340711
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid
CID 117472876
3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-dimethylpropanoic acid
CID 117472164
2-amino-3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117447869
2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid
CID 117287612
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061
(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol
CID 84676076
2-[3-(bromomethyl)-2-fluoro-5-methoxyphenyl]acetic acid
CID 130139281
2-(2,5-difluoro-3-methylphenyl)acetic acid
CID 118999566

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid?
The IUPAC name of 2-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid (CID 117348841) is 2-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid?
The canonical SMILES for 2-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid is COc1cc(CC(=O)O)c(F)c2c1CCCC2.
What is the InChIKey of 2-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid?
The InChIKey is NXLXGFFKRLBHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-17-11-6-8(7-12(15)16)13(14)10-5-3-2-4-9(10)11/h6H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 2-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid?
2-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid has a molecular weight of 238.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid is sourced from PubChem (CID 117348841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).