[(1R,2R)-2-methoxycyclopentyl] 2-(3,4-dimethoxyphenyl)acetate

C16H22O5 — CID 96523533

IUPAC[(1R,2R)-2-methoxycyclopentyl] 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)O[C@@H]2CCC[C@H]2OC)cc1OC
InChIInChI=1S/C16H22O5/c1-18-12-5-4-6-14(12)21-16(17)10-11-7-8-13(19-2)15(9-11)20-3/h7-9,12,14H,4-6,10H2,1-3H3/t12-,14-/m1/s1
InChIKeyTYNLSWDYRICRHL-TZMCWYRMSA-N
MW294.35 g/mol
LogP2.36
Rot. Bonds6

About [(1R,2R)-2-methoxycyclopentyl] 2-(3,4-dimethoxyphenyl)acetate

[(1R,2R)-2-methoxycyclopentyl] 2-(3,4-dimethoxyphenyl)acetate (PubChem CID 96523533) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is [(1R,2R)-2-methoxycyclopentyl] 2-(3,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[(1R,2R)-2-methoxycyclopentyl] 2-(3,4-dimethoxyphenyl)acetate
PubChem CID96523533
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name[(1R,2R)-2-methoxycyclopentyl] 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)O[C@@H]2CCC[C@H]2OC)cc1OC
InChIInChI=1S/C16H22O5/c1-18-12-5-4-6-14(12)21-16(17)10-11-7-8-13(19-2)15(9-11)20-3/h7-9,12,14H,4-6,10H2,1-3H3/t12-,14-/m1/s1
InChIKeyTYNLSWDYRICRHL-TZMCWYRMSA-N
XLogP2.36
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
CID 60863000
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
(2,5-dihydroxypyrrol-1-yl) 2-(3,4-dimethoxyphenyl)acetate
CID 54544586
N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 61037756
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide
CID 799227
(E)-5-(3,4-dimethoxyphenyl)-4-methylpent-3-en-2-one
CID 103970851
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766228
methyl 2-[4-(2-cyclopentyl-2-methoxyethoxy)-3-methoxyphenyl]acetate
CID 167777930
2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 4167532
2-[(3,4-dimethoxyphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methyl]cyclohexan-1-one
CID 20608911
2-(3,4-dimethoxyphenyl)ethyl-[(1R,2R)-2-methoxycyclohexyl]azanium
CID 7377931

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methoxycyclopentyl] 2-(3,4-dimethoxyphenyl)acetate?
The IUPAC name of [(1R,2R)-2-methoxycyclopentyl] 2-(3,4-dimethoxyphenyl)acetate (CID 96523533) is [(1R,2R)-2-methoxycyclopentyl] 2-(3,4-dimethoxyphenyl)acetate.
What is the SMILES notation for [(1R,2R)-2-methoxycyclopentyl] 2-(3,4-dimethoxyphenyl)acetate?
The canonical SMILES for [(1R,2R)-2-methoxycyclopentyl] 2-(3,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)O[C@@H]2CCC[C@H]2OC)cc1OC.
What is the InChIKey of [(1R,2R)-2-methoxycyclopentyl] 2-(3,4-dimethoxyphenyl)acetate?
The InChIKey is TYNLSWDYRICRHL-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H22O5/c1-18-12-5-4-6-14(12)21-16(17)10-11-7-8-13(19-2)15(9-11)20-3/h7-9,12,14H,4-6,10H2,1-3H3/t12-,14-/m1/s1.
What are the key properties of [(1R,2R)-2-methoxycyclopentyl] 2-(3,4-dimethoxyphenyl)acetate?
[(1R,2R)-2-methoxycyclopentyl] 2-(3,4-dimethoxyphenyl)acetate has a molecular weight of 294.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methoxycyclopentyl] 2-(3,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 96523533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).