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

C20H20Cl2O4 — CID 129243730

IUPAC3-[[6-[(2,3-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanoic acid
SMILESO=C(O)CCOC1CCc2cc(OCc3cccc(Cl)c3Cl)ccc2C1
InChIInChI=1S/C20H20Cl2O4/c21-18-3-1-2-15(20(18)22)12-26-17-7-5-13-10-16(6-4-14(13)11-17)25-9-8-19(23)24/h1-3,5,7,11,16H,4,6,8-10,12H2,(H,23,24)
InChIKeyKMNFMURFWRLDQZ-UHFFFAOYSA-N
MW395.28 g/mol
LogP4.92
Rot. Bonds7

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

3-[[6-[(2,3-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanoic acid (PubChem CID 129243730) has the molecular formula C20H20Cl2O4 and a molecular weight of 395.28 g/mol. Its IUPAC name is 3-[[6-[(2,3-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanoic acid.

Molecular Properties

Compound Name3-[[6-[(2,3-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanoic acid
PubChem CID129243730
Molecular FormulaC20H20Cl2O4
Molecular Weight395.28 g/mol
Exact Mass394.07
IUPAC Name3-[[6-[(2,3-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanoic acid
SMILESO=C(O)CCOC1CCc2cc(OCc3cccc(Cl)c3Cl)ccc2C1
InChIInChI=1S/C20H20Cl2O4/c21-18-3-1-2-15(20(18)22)12-26-17-7-5-13-10-16(6-4-14(13)11-17)25-9-8-19(23)24/h1-3,5,7,11,16H,4,6,8-10,12H2,(H,23,24)
InChIKeyKMNFMURFWRLDQZ-UHFFFAOYSA-N
XLogP4.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[6-[(2,3-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanoic acid with MolForge

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Related Compounds

2-[[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 129243720
2-[[6-[(3,5-dimethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 129243799
3-[[6-[(3-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanal
CID 145339163
1-[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine
CID 18361596
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-chloro-6-ethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]cyclopropane-1-carboxylic acid
CID 129243660
2-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]oxy]acetic acid
CID 129243674
2-[[6-(3-piperidin-4-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 23377825
1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone
CID 107719291
3-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 114489078
3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid
CID 83952241
1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene
CID 107310396

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[(2,3-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanoic acid?
The IUPAC name of 3-[[6-[(2,3-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanoic acid (CID 129243730) is 3-[[6-[(2,3-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanoic acid.
What is the SMILES notation for 3-[[6-[(2,3-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanoic acid?
The canonical SMILES for 3-[[6-[(2,3-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanoic acid is O=C(O)CCOC1CCc2cc(OCc3cccc(Cl)c3Cl)ccc2C1.
What is the InChIKey of 3-[[6-[(2,3-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanoic acid?
The InChIKey is KMNFMURFWRLDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2O4/c21-18-3-1-2-15(20(18)22)12-26-17-7-5-13-10-16(6-4-14(13)11-17)25-9-8-19(23)24/h1-3,5,7,11,16H,4,6,8-10,12H2,(H,23,24).
What are the key properties of 3-[[6-[(2,3-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanoic acid?
3-[[6-[(2,3-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanoic acid has a molecular weight of 395.28 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[(2,3-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanoic acid is sourced from PubChem (CID 129243730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).