2-[[6-[(3,5-dimethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid

C21H24O4 — CID 129243799

IUPAC2-[[6-[(3,5-dimethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid
SMILESCc1cc(C)cc(COc2ccc3c(c2)CCC(OCC(=O)O)C3)c1
InChIInChI=1S/C21H24O4/c1-14-7-15(2)9-16(8-14)12-24-19-5-3-18-11-20(25-13-21(22)23)6-4-17(18)10-19/h3,5,7-10,20H,4,6,11-13H2,1-2H3,(H,22,23)
InChIKeyARQCBMYRUFSVSH-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.84
Rot. Bonds6

About 2-[[6-[(3,5-dimethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid

2-[[6-[(3,5-dimethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid (PubChem CID 129243799) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[[6-[(3,5-dimethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[6-[(3,5-dimethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid
PubChem CID129243799
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name2-[[6-[(3,5-dimethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid
SMILESCc1cc(C)cc(COc2ccc3c(c2)CCC(OCC(=O)O)C3)c1
InChIInChI=1S/C21H24O4/c1-14-7-15(2)9-16(8-14)12-24-19-5-3-18-11-20(25-13-21(22)23)6-4-17(18)10-19/h3,5,7-10,20H,4,6,11-13H2,1-2H3,(H,22,23)
InChIKeyARQCBMYRUFSVSH-UHFFFAOYSA-N
XLogP3.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[6-[(3,5-dimethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic 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
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
2-[[6-(3-piperidin-4-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 23377825
3-[[6-[(2,3-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanoic acid
CID 129243730
5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 107684168
3-[[6-[(3-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanal
CID 145339163
6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 52952267
6-[[4-(4-decoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 19070004
7-[(3,5-dimethylphenyl)methoxy]naphthalen-2-ol
CID 63549894
6-[[4-(5-ethoxy-2-fluorophenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 58990655
(E)-3-[4-[(3,5-dimethylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 61029647
6-[[4-(2-butoxy-5-methylphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 160786263

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(3,5-dimethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid?
The IUPAC name of 2-[[6-[(3,5-dimethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid (CID 129243799) is 2-[[6-[(3,5-dimethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[6-[(3,5-dimethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid?
The canonical SMILES for 2-[[6-[(3,5-dimethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid is Cc1cc(C)cc(COc2ccc3c(c2)CCC(OCC(=O)O)C3)c1.
What is the InChIKey of 2-[[6-[(3,5-dimethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid?
The InChIKey is ARQCBMYRUFSVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-14-7-15(2)9-16(8-14)12-24-19-5-3-18-11-20(25-13-21(22)23)6-4-17(18)10-19/h3,5,7-10,20H,4,6,11-13H2,1-2H3,(H,22,23).
What are the key properties of 2-[[6-[(3,5-dimethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid?
2-[[6-[(3,5-dimethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid has a molecular weight of 340.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(3,5-dimethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid is sourced from PubChem (CID 129243799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).