[(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate

C18H20O3 — CID 101478548

IUPAC[(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate
SMILESCOc1ccc([C@H](CCOC(C)=O)c2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-14(19)21-13-12-18(15-6-4-3-5-7-15)16-8-10-17(20-2)11-9-16/h3-11,18H,12-13H2,1-2H3/t18-/m1/s1
InChIKeyGIUSNAUFAAZRJV-GOSISDBHSA-N
MW284.36 g/mol
LogP3.78
Rot. Bonds6

About [(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate

[(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate (PubChem CID 101478548) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is [(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate.

Molecular Properties

Compound Name[(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate
PubChem CID101478548
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name[(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate
SMILESCOc1ccc([C@H](CCOC(C)=O)c2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-14(19)21-13-12-18(15-6-4-3-5-7-15)16-8-10-17(20-2)11-9-16/h3-11,18H,12-13H2,1-2H3/t18-/m1/s1
InChIKeyGIUSNAUFAAZRJV-GOSISDBHSA-N
XLogP3.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-phenylbutyl] acetate
CID 12598598
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
[(3S)-4-acetyloxy-3-phenylbutyl] acetate
CID 100998511
(3,4-dihydroxy-4-phenylbutyl) acetate
CID 123233142
N-methoxy-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 144913522
[3-(2-hydroxy-3,4-dimethylphenyl)-3-phenylpropyl] acetate
CID 85223537
[2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate
CID 13275342
2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl acetate
CID 70366445
(4-methoxyphenyl) (2S)-2-acetyloxy-2-phenylacetate
CID 102577965
anisole;butan-2-one
CID 67379528
(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol
CID 134903492
[5-acetyloxy-3-(2-methoxyphenyl)pentyl] acetate
CID 51050664

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate?
The IUPAC name of [(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate (CID 101478548) is [(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate.
What is the SMILES notation for [(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate?
The canonical SMILES for [(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate is COc1ccc([C@H](CCOC(C)=O)c2ccccc2)cc1.
What is the InChIKey of [(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate?
The InChIKey is GIUSNAUFAAZRJV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20O3/c1-14(19)21-13-12-18(15-6-4-3-5-7-15)16-8-10-17(20-2)11-9-16/h3-11,18H,12-13H2,1-2H3/t18-/m1/s1.
What are the key properties of [(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate?
[(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate has a molecular weight of 284.36 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate is sourced from PubChem (CID 101478548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).