[(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate

C14H18O4 — CID 11776874

IUPAC[(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate
SMILESCC(=O)O[C@H](C)c1cccc([C@@H](C)OC(C)=O)c1
InChIInChI=1S/C14H18O4/c1-9(17-11(3)15)13-6-5-7-14(8-13)10(2)18-12(4)16/h5-10H,1-4H3/t9-,10-/m1/s1
InChIKeyZEYYLUUYXYGLND-NXEZZACHSA-N
MW250.29 g/mol
LogP2.93
Rot. Bonds4

About [(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate

[(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate (PubChem CID 11776874) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is [(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate.

Molecular Properties

Compound Name[(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate
PubChem CID11776874
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name[(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate
SMILESCC(=O)O[C@H](C)c1cccc([C@@H](C)OC(C)=O)c1
InChIInChI=1S/C14H18O4/c1-9(17-11(3)15)13-6-5-7-14(8-13)10(2)18-12(4)16/h5-10H,1-4H3/t9-,10-/m1/s1
InChIKeyZEYYLUUYXYGLND-NXEZZACHSA-N
XLogP2.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-acetylphenyl)ethyl acetate
CID 155934907
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
1-[3-(chloromethyl)phenyl]ethyl acetate
CID 140542956
1-(1,2,3-trioxoinden-5-yl)ethyl acetate
CID 70247188
[(1S)-1-(4-fluorophenyl)ethyl] acetate
CID 11194691
[(1R)-1-(4-acetylphenyl)ethyl] acetate
CID 71348999
1-(4-fluorophenyl)ethyl acetate
CID 11286838
[(1R)-1-(4-bromophenyl)ethyl] acetate
CID 11770642
4-(1-acetyloxyethyl)benzoic acid
CID 57306237
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
[bromo-(3-fluorophenyl)methyl] acetate
CID 174595381
1-(3-chlorophenyl)ethyl carbamate
CID 121415275

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate?
The IUPAC name of [(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate (CID 11776874) is [(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate.
What is the SMILES notation for [(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate?
The canonical SMILES for [(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate is CC(=O)O[C@H](C)c1cccc([C@@H](C)OC(C)=O)c1.
What is the InChIKey of [(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate?
The InChIKey is ZEYYLUUYXYGLND-NXEZZACHSA-N. The full InChI is InChI=1S/C14H18O4/c1-9(17-11(3)15)13-6-5-7-14(8-13)10(2)18-12(4)16/h5-10H,1-4H3/t9-,10-/m1/s1.
What are the key properties of [(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate?
[(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate has a molecular weight of 250.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate is sourced from PubChem (CID 11776874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).