(5-acetyl-2-methoxyphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate

C22H24O4 — CID 8535665

IUPAC(5-acetyl-2-methoxyphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C22H24O4/c1-15(23)18-9-10-21(25-2)20(13-18)14-26-22(24)12-16-7-8-17-5-3-4-6-19(17)11-16/h7-11,13H,3-6,12,14H2,1-2H3
InChIKeyLCDIPQAHUXMXMG-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.06
Rot. Bonds6

About (5-acetyl-2-methoxyphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate

(5-acetyl-2-methoxyphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate (PubChem CID 8535665) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
PubChem CID8535665
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C22H24O4/c1-15(23)18-9-10-21(25-2)20(13-18)14-26-22(24)12-16-7-8-17-5-3-4-6-19(17)11-16/h7-11,13H,3-6,12,14H2,1-2H3
InChIKeyLCDIPQAHUXMXMG-UHFFFAOYSA-N
XLogP4.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 8608526
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 8506376
(5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013688
(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
CID 2626045
(5-acetyl-2-methoxyphenyl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235428
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
(5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate
CID 7190646
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
(5-acetyl-2-methoxyphenyl)methyl-diethylazanium
CID 6943942
(5-acetyl-2-methoxyphenyl)methyl 6-(carbamoylamino)hexanoate
CID 8860206
(5-acetyl-2-methoxyphenyl)methyl 2-(4-chloro-2-methylphenoxy)acetate
CID 7779381

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate (CID 8535665) is (5-acetyl-2-methoxyphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate is COc1ccc(C(C)=O)cc1COC(=O)Cc1ccc2c(c1)CCCC2.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The InChIKey is LCDIPQAHUXMXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O4/c1-15(23)18-9-10-21(25-2)20(13-18)14-26-22(24)12-16-7-8-17-5-3-4-6-19(17)11-16/h7-11,13H,3-6,12,14H2,1-2H3.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
(5-acetyl-2-methoxyphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate has a molecular weight of 352.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate is sourced from PubChem (CID 8535665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).