[5-acetyloxy-3-(2-methoxyphenyl)pentyl] acetate

C16H22O5 — CID 51050664

IUPAC[5-acetyloxy-3-(2-methoxyphenyl)pentyl] acetate
SMILESCOc1ccccc1C(CCOC(C)=O)CCOC(C)=O
InChIInChI=1S/C16H22O5/c1-12(17)20-10-8-14(9-11-21-13(2)18)15-6-4-5-7-16(15)19-3/h4-7,14H,8-11H2,1-3H3
InChIKeyBOZJWXORSUEEBI-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.69
Rot. Bonds8

About [5-acetyloxy-3-(2-methoxyphenyl)pentyl] acetate

[5-acetyloxy-3-(2-methoxyphenyl)pentyl] acetate (PubChem CID 51050664) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is [5-acetyloxy-3-(2-methoxyphenyl)pentyl] acetate.

Molecular Properties

Compound Name[5-acetyloxy-3-(2-methoxyphenyl)pentyl] acetate
PubChem CID51050664
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name[5-acetyloxy-3-(2-methoxyphenyl)pentyl] acetate
SMILESCOc1ccccc1C(CCOC(C)=O)CCOC(C)=O
InChIInChI=1S/C16H22O5/c1-12(17)20-10-8-14(9-11-21-13(2)18)15-6-4-5-7-16(15)19-3/h4-7,14H,8-11H2,1-3H3
InChIKeyBOZJWXORSUEEBI-UHFFFAOYSA-N
XLogP2.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyphenyl)pentane-1,5-diol
CID 51050570
3-(2-methoxyphenyl)pentanediamide
CID 20546356
[(3S)-4-acetyloxy-3-phenylbutyl] acetate
CID 100998511
2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate
CID 6421422
2-(2-methoxyphenyl)hexan-1-amine
CID 84753039
[(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate
CID 101478548
methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
methyl 3-hydroxy-2-(2-methoxyphenyl)propanoate
CID 117244498
1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 73011725
tert-butyl 4-amino-3-(2-methoxyphenyl)butanoate
CID 142451328
3-(2-methoxyphenyl)-2-oxobutanoic acid
CID 70150557

Frequently Asked Questions

What is the IUPAC name of [5-acetyloxy-3-(2-methoxyphenyl)pentyl] acetate?
The IUPAC name of [5-acetyloxy-3-(2-methoxyphenyl)pentyl] acetate (CID 51050664) is [5-acetyloxy-3-(2-methoxyphenyl)pentyl] acetate.
What is the SMILES notation for [5-acetyloxy-3-(2-methoxyphenyl)pentyl] acetate?
The canonical SMILES for [5-acetyloxy-3-(2-methoxyphenyl)pentyl] acetate is COc1ccccc1C(CCOC(C)=O)CCOC(C)=O.
What is the InChIKey of [5-acetyloxy-3-(2-methoxyphenyl)pentyl] acetate?
The InChIKey is BOZJWXORSUEEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-12(17)20-10-8-14(9-11-21-13(2)18)15-6-4-5-7-16(15)19-3/h4-7,14H,8-11H2,1-3H3.
What are the key properties of [5-acetyloxy-3-(2-methoxyphenyl)pentyl] acetate?
[5-acetyloxy-3-(2-methoxyphenyl)pentyl] acetate has a molecular weight of 294.35 g/mol, XLogP of 2.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-acetyloxy-3-(2-methoxyphenyl)pentyl] acetate is sourced from PubChem (CID 51050664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).