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

C35H42O8 — CID 129285095

IUPACethyl 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
SMILESCCOC(=O)COC1CCc2cc(O)ccc2C1.CCOC(=O)COC1CCc2cc(OCc3ccccc3)ccc2C1
InChIInChI=1S/C21H24O4.C14H18O4/c1-2-23-21(22)15-25-20-11-9-17-12-19(10-8-18(17)13-20)24-14-16-6-4-3-5-7-16;1-2-17-14(16)9-18-13-6-4-10-7-12(15)5-3-11(10)8-13/h3-8,10,12,20H,2,9,11,13-15H2,1H3;3,5,7,13,15H,2,4,6,8-9H2,1H3
InChIKeyMXOXEEQBNJEVPF-UHFFFAOYSA-N
MW590.71 g/mol
LogP5.53
Rot. Bonds11

About 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

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 (PubChem CID 129285095) has the molecular formula C35H42O8 and a molecular weight of 590.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl 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
PubChem CID129285095
Molecular FormulaC35H42O8
Molecular Weight590.71 g/mol
Exact Mass590.29
IUPAC Nameethyl 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
SMILESCCOC(=O)COC1CCc2cc(O)ccc2C1.CCOC(=O)COC1CCc2cc(OCc3ccccc3)ccc2C1
InChIInChI=1S/C21H24O4.C14H18O4/c1-2-23-21(22)15-25-20-11-9-17-12-19(10-8-18(17)13-20)24-14-16-6-4-3-5-7-16;1-2-17-14(16)9-18-13-6-4-10-7-12(15)5-3-11(10)8-13/h3-8,10,12,20H,2,9,11,13-15H2,1H3;3,5,7,13,15H,2,4,6,8-9H2,1H3
InChIKeyMXOXEEQBNJEVPF-UHFFFAOYSA-N
XLogP5.53
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.71
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

2-[[6-[(3,5-dimethylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 129243799
2-[[6-[(2-chlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 129243720
6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 52952267
ethyl 2-[[7-[[(2S)-2-(3-chloro-4-phenylmethoxyphenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate;hydrochloride
CID 67686378
3-(2-ethoxy-2-oxoethyl)-3-[[(1S)-5-phenylmethoxy-2,3-dihydro-1H-inden-1-yl]methyl]pentanedioic acid
CID 90902196
benzyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
CID 23298487
ethyl 2-[5-[(3-phenoxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]acetate
CID 58755283
(4-phenylmethoxycarbonylphenyl) 6-decoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 67685261
ethyl 2-[7-[(4-carbamimidoylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate
CID 10808900
(2S)-2-hydroxy-N-[(2S)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(4-phenylmethoxyphenyl)acetamide
CID 57222877
3-[[6-[(2,3-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanoic acid
CID 129243730
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)COC1CCc2cc(O)ccc2C1.CCOC(=O)COC1CCc2cc(OCc3ccccc3)ccc2C1.
What is the InChIKey of 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?
The InChIKey is MXOXEEQBNJEVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4.C14H18O4/c1-2-23-21(22)15-25-20-11-9-17-12-19(10-8-18(17)13-20)24-14-16-6-4-3-5-7-16;1-2-17-14(16)9-18-13-6-4-10-7-12(15)5-3-11(10)8-13/h3-8,10,12,20H,2,9,11,13-15H2,1H3;3,5,7,13,15H,2,4,6,8-9H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 590.71 g/mol, XLogP of 5.53, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129285095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).