2-[[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid

C19H19ClO4 — CID 129243720

IUPAC2-[[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid
SMILESO=C(O)COC1CCc2cc(OCc3ccccc3Cl)ccc2C1
InChIInChI=1S/C19H19ClO4/c20-18-4-2-1-3-15(18)11-23-16-7-5-14-10-17(24-12-19(21)22)8-6-13(14)9-16/h1-5,7,9,17H,6,8,10-12H2,(H,21,22)
InChIKeyXWPLNWKWSKYMTP-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.88
Rot. Bonds6

About 2-[[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid

2-[[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid (PubChem CID 129243720) has the molecular formula C19H19ClO4 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-[[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid
PubChem CID129243720
Molecular FormulaC19H19ClO4
Molecular Weight346.81 g/mol
Exact Mass346.10
IUPAC Name2-[[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid
SMILESO=C(O)COC1CCc2cc(OCc3ccccc3Cl)ccc2C1
InChIInChI=1S/C19H19ClO4/c20-18-4-2-1-3-15(18)11-23-16-7-5-14-10-17(24-12-19(21)22)8-6-13(14)9-16/h1-5,7,9,17H,6,8,10-12H2,(H,21,22)
InChIKeyXWPLNWKWSKYMTP-UHFFFAOYSA-N
XLogP3.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]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

3-[[6-[(2,3-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanoic acid
CID 129243730
2-[[6-[(3,5-dimethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 129243799
ethyl 2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate;ethyl 2-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate
CID 129285095
1-[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine
CID 18361596
2-[[6-(3-piperidin-4-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 23377825
2-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]oxy]acetic acid
CID 129243674
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid
CID 63869215
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
1-[[[6-[(2-chloro-6-ethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]cyclopropane-1-carboxylic acid
CID 129243660
1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone
CID 91864298
3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid
CID 83952241

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid?
The IUPAC name of 2-[[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid (CID 129243720) is 2-[[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid?
The canonical SMILES for 2-[[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid is O=C(O)COC1CCc2cc(OCc3ccccc3Cl)ccc2C1.
What is the InChIKey of 2-[[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid?
The InChIKey is XWPLNWKWSKYMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO4/c20-18-4-2-1-3-15(18)11-23-16-7-5-14-10-17(24-12-19(21)22)8-6-13(14)9-16/h1-5,7,9,17H,6,8,10-12H2,(H,21,22).
What are the key properties of 2-[[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid?
2-[[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid has a molecular weight of 346.81 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid is sourced from PubChem (CID 129243720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).