2-[6-[(3-phenoxyphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate

C25H23O4- — CID 23111673

IUPAC2-[6-[(3-phenoxyphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate
SMILESO=C([O-])CC1CCCc2cc(OCc3cccc(Oc4ccccc4)c3)ccc21
InChIInChI=1S/C25H24O4/c26-25(27)16-20-8-5-7-19-15-22(12-13-24(19)20)28-17-18-6-4-11-23(14-18)29-21-9-2-1-3-10-21/h1-4,6,9-15,20H,5,7-8,16-17H2,(H,26,27)/p-1
InChIKeyVJRSNJDZYQDFAJ-UHFFFAOYSA-M
MW387.46 g/mol
LogP4.62
Rot. Bonds7

About 2-[6-[(3-phenoxyphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate

2-[6-[(3-phenoxyphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate (PubChem CID 23111673) has the molecular formula C25H23O4- and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[6-[(3-phenoxyphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate.

Molecular Properties

Compound Name2-[6-[(3-phenoxyphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate
PubChem CID23111673
Molecular FormulaC25H23O4-
Molecular Weight387.46 g/mol
Exact Mass387.16
IUPAC Name2-[6-[(3-phenoxyphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate
SMILESO=C([O-])CC1CCCc2cc(OCc3cccc(Oc4ccccc4)c3)ccc21
InChIInChI=1S/C25H24O4/c26-25(27)16-20-8-5-7-19-15-22(12-13-24(19)20)28-17-18-6-4-11-23(14-18)29-21-9-2-1-3-10-21/h1-4,6,9-15,20H,5,7-8,16-17H2,(H,26,27)/p-1
InChIKeyVJRSNJDZYQDFAJ-UHFFFAOYSA-M
XLogP4.62
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[5-[(3-phenoxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]acetate
CID 58755283
methyl 2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate
CID 57135196
3-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 77104943
2-[5-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 58990641
2-[(1S)-5-(3-iodophenoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24983609
3-[2-(6-ethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid
CID 158406274
6-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410362
1-hydroxy-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 19841196
3-[(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 90253472
2-[[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide
CID 14181183
2,2-dideuterio-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid
CID 163471018
6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 101422030

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-phenoxyphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate?
The IUPAC name of 2-[6-[(3-phenoxyphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate (CID 23111673) is 2-[6-[(3-phenoxyphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate.
What is the SMILES notation for 2-[6-[(3-phenoxyphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate?
The canonical SMILES for 2-[6-[(3-phenoxyphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate is O=C([O-])CC1CCCc2cc(OCc3cccc(Oc4ccccc4)c3)ccc21.
What is the InChIKey of 2-[6-[(3-phenoxyphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate?
The InChIKey is VJRSNJDZYQDFAJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H24O4/c26-25(27)16-20-8-5-7-19-15-22(12-13-24(19)20)28-17-18-6-4-11-23(14-18)29-21-9-2-1-3-10-21/h1-4,6,9-15,20H,5,7-8,16-17H2,(H,26,27)/p-1.
What are the key properties of 2-[6-[(3-phenoxyphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate?
2-[6-[(3-phenoxyphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate has a molecular weight of 387.46 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3-phenoxyphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate is sourced from PubChem (CID 23111673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).