1-[4-(4-methoxyphenyl)phenyl]ethyl acetate

C17H18O3 — CID 14297718

IUPAC1-[4-(4-methoxyphenyl)phenyl]ethyl acetate
SMILESCOc1ccc(-c2ccc(C(C)OC(C)=O)cc2)cc1
InChIInChI=1S/C17H18O3/c1-12(20-13(2)18)14-4-6-15(7-5-14)16-8-10-17(19-3)11-9-16/h4-12H,1-3H3
InChIKeyXXIKWRVHJUCRAR-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.99
Rot. Bonds4

About 1-[4-(4-methoxyphenyl)phenyl]ethyl acetate

1-[4-(4-methoxyphenyl)phenyl]ethyl acetate (PubChem CID 14297718) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)phenyl]ethyl acetate.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)phenyl]ethyl acetate
PubChem CID14297718
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1-[4-(4-methoxyphenyl)phenyl]ethyl acetate
SMILESCOc1ccc(-c2ccc(C(C)OC(C)=O)cc2)cc1
InChIInChI=1S/C17H18O3/c1-12(20-13(2)18)14-4-6-15(7-5-14)16-8-10-17(19-3)11-9-16/h4-12H,1-3H3
InChIKeyXXIKWRVHJUCRAR-UHFFFAOYSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate
CID 10334074
1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene
CID 139694053
CID 168763649
CID 168763649
[2-iodo-1-(4-methoxyphenyl)propyl] acetate
CID 10947606
[(1R)-1-(4-bromophenyl)ethyl] acetate
CID 11770642
1-(4-fluorophenyl)ethyl acetate
CID 11286838
[(1R)-1-(4-acetylphenyl)ethyl] acetate
CID 71348999
[(1S)-1-(4-fluorophenyl)ethyl] acetate
CID 11194691
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
4-(1-acetyloxyethyl)benzoic acid
CID 57306237
[(2R,4S)-4-acetyloxy-4-(4-methoxyphenyl)butan-2-yl] acetate
CID 134966639
1-(4-methylsulfonylphenyl)ethyl acetate
CID 174500289

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)phenyl]ethyl acetate?
The IUPAC name of 1-[4-(4-methoxyphenyl)phenyl]ethyl acetate (CID 14297718) is 1-[4-(4-methoxyphenyl)phenyl]ethyl acetate.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)phenyl]ethyl acetate?
The canonical SMILES for 1-[4-(4-methoxyphenyl)phenyl]ethyl acetate is COc1ccc(-c2ccc(C(C)OC(C)=O)cc2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)phenyl]ethyl acetate?
The InChIKey is XXIKWRVHJUCRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12(20-13(2)18)14-4-6-15(7-5-14)16-8-10-17(19-3)11-9-16/h4-12H,1-3H3.
What are the key properties of 1-[4-(4-methoxyphenyl)phenyl]ethyl acetate?
1-[4-(4-methoxyphenyl)phenyl]ethyl acetate has a molecular weight of 270.33 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)phenyl]ethyl acetate is sourced from PubChem (CID 14297718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).