2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid;ethyl 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate

C44H48O6 — CID 161473981

IUPAC2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid;ethyl 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate
SMILESCCOC(=O)CC1CCCc2cc(OC3Cc4ccccc4C3)ccc21.O=C(O)CC1CCCc2cc(OC3Cc4ccccc4C3)ccc21
InChIInChI=1S/C23H26O3.C21H22O3/c1-2-25-23(24)15-19-9-5-8-18-14-20(10-11-22(18)19)26-21-12-16-6-3-4-7-17(16)13-21;22-21(23)13-17-7-3-6-16-12-18(8-9-20(16)17)24-19-10-14-4-1-2-5-15(14)11-19/h3-4,6-7,10-11,14,19,21H,2,5,8-9,12-13,15H2,1H3;1-2,4-5,8-9,12,17,19H,3,6-7,10-11,13H2,(H,22,23)
InChIKeyWDLVOXRDKVMQPK-UHFFFAOYSA-N
MW672.86 g/mol
LogP8.73
Rot. Bonds9

About 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid;ethyl 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate

2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid;ethyl 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate (PubChem CID 161473981) has the molecular formula C44H48O6 and a molecular weight of 672.86 g/mol. Its IUPAC name is 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid;ethyl 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate.

Molecular Properties

Compound Name2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid;ethyl 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate
PubChem CID161473981
Molecular FormulaC44H48O6
Molecular Weight672.86 g/mol
Exact Mass672.35
IUPAC Name2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid;ethyl 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate
SMILESCCOC(=O)CC1CCCc2cc(OC3Cc4ccccc4C3)ccc21.O=C(O)CC1CCCc2cc(OC3Cc4ccccc4C3)ccc21
InChIInChI=1S/C23H26O3.C21H22O3/c1-2-25-23(24)15-19-9-5-8-18-14-20(10-11-22(18)19)26-21-12-16-6-3-4-7-17(16)13-21;22-21(23)13-17-7-3-6-16-12-18(8-9-20(16)17)24-19-10-14-4-1-2-5-15(14)11-19/h3-4,6-7,10-11,14,19,21H,2,5,8-9,12-13,15H2,1H3;1-2,4-5,8-9,12,17,19H,3,6-7,10-11,13H2,(H,22,23)
InChIKeyWDLVOXRDKVMQPK-UHFFFAOYSA-N
XLogP8.73
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.86
LogP ≤ 58.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid;ethyl 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate with MolForge

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Related Compounds

ethyl 2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetate
CID 143248362
2-[5-(2-ethoxy-2-oxoethoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 86196999
2-[6-[(4Z,6Z)-3-methylcyclonona-4,6-dien-1-yl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 143426829
ethyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetate
CID 58565948
ethyl 2-[5-[(3-phenoxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]acetate
CID 58755283
2-[6-[2-(4-methoxyphenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 69177503
2-[6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 83824130
ethyl 2-(1,3,4,5-tetrahydro-2-benzoxepin-5-yl)acetate
CID 165145663
ethyl 2-[(1S)-5-[2-(6-chloro-2-pyridinyl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetate
CID 59300493
2-[(1S)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 59021811
2-[(1S)-5-[2-(3-methyl-2-pyridinyl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 67019087
ethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate
CID 86641632

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid;ethyl 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate?
The IUPAC name of 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid;ethyl 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate (CID 161473981) is 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid;ethyl 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate.
What is the SMILES notation for 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid;ethyl 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate?
The canonical SMILES for 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid;ethyl 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate is CCOC(=O)CC1CCCc2cc(OC3Cc4ccccc4C3)ccc21.O=C(O)CC1CCCc2cc(OC3Cc4ccccc4C3)ccc21.
What is the InChIKey of 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid;ethyl 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate?
The InChIKey is WDLVOXRDKVMQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O3.C21H22O3/c1-2-25-23(24)15-19-9-5-8-18-14-20(10-11-22(18)19)26-21-12-16-6-3-4-7-17(16)13-21;22-21(23)13-17-7-3-6-16-12-18(8-9-20(16)17)24-19-10-14-4-1-2-5-15(14)11-19/h3-4,6-7,10-11,14,19,21H,2,5,8-9,12-13,15H2,1H3;1-2,4-5,8-9,12,17,19H,3,6-7,10-11,13H2,(H,22,23).
What are the key properties of 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid;ethyl 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate?
2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid;ethyl 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate has a molecular weight of 672.86 g/mol, XLogP of 8.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid;ethyl 2-[6-(2,3-dihydro-1H-inden-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetate is sourced from PubChem (CID 161473981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).