[(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate

C18H20O3 — CID 10334074

IUPAC[(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate
SMILESCC(=O)O[C@H](C)c1ccc(-c2ccc([C@H](C)O)cc2)cc1
InChIInChI=1S/C18H20O3/c1-12(19)15-4-8-17(9-5-15)18-10-6-16(7-11-18)13(2)21-14(3)20/h4-13,19H,1-3H3/t12-,13+/m0/s1
InChIKeySXPDQRTZJAYLBF-QWHCGFSZSA-N
MW284.36 g/mol
LogP4.03
Rot. Bonds4

About [(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate

[(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate (PubChem CID 10334074) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is [(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate.

Molecular Properties

Compound Name[(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate
PubChem CID10334074
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name[(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate
SMILESCC(=O)O[C@H](C)c1ccc(-c2ccc([C@H](C)O)cc2)cc1
InChIInChI=1S/C18H20O3/c1-12(19)15-4-8-17(9-5-15)18-10-6-16(7-11-18)13(2)21-14(3)20/h4-13,19H,1-3H3/t12-,13+/m0/s1
InChIKeySXPDQRTZJAYLBF-QWHCGFSZSA-N
XLogP4.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methoxyphenyl)phenyl]ethyl acetate
CID 14297718
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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
1-(4-methylsulfonylphenyl)ethyl acetate
CID 174500289
[(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate
CID 11776874
ethane;1-(4-sulfamoylphenyl)ethyl acetate
CID 143172857
icosyl 4-[4-(1-acetyloxyethyl)phenyl]benzoate
CID 139684862
tridecyl 4-[4-(1-acetyloxyethyl)phenyl]benzoate
CID 139684856

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate?
The IUPAC name of [(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate (CID 10334074) is [(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate.
What is the SMILES notation for [(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate?
The canonical SMILES for [(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate is CC(=O)O[C@H](C)c1ccc(-c2ccc([C@H](C)O)cc2)cc1.
What is the InChIKey of [(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate?
The InChIKey is SXPDQRTZJAYLBF-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H20O3/c1-12(19)15-4-8-17(9-5-15)18-10-6-16(7-11-18)13(2)21-14(3)20/h4-13,19H,1-3H3/t12-,13+/m0/s1.
What are the key properties of [(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate?
[(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate has a molecular weight of 284.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate is sourced from PubChem (CID 10334074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).