1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone

C12H16O2 — CID 124500301

IUPAC1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone
SMILESCCO[C@H](C)c1ccc(C(C)=O)cc1
InChIInChI=1S/C12H16O2/c1-4-14-10(3)12-7-5-11(6-8-12)9(2)13/h5-8,10H,4H2,1-3H3/t10-/m1/s1
InChIKeyPICLFGWBTWDYON-SNVBAGLBSA-N
MW192.26 g/mol
LogP2.99
Rot. Bonds4

About 1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone

1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone (PubChem CID 124500301) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone
PubChem CID124500301
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone
SMILESCCO[C@H](C)c1ccc(C(C)=O)cc1
InChIInChI=1S/C12H16O2/c1-4-14-10(3)12-7-5-11(6-8-12)9(2)13/h5-8,10H,4H2,1-3H3/t10-/m1/s1
InChIKeyPICLFGWBTWDYON-SNVBAGLBSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-methoxyethyl)phenyl]ethanone
CID 12735290
[(1R)-1-(4-acetylphenyl)ethyl] acetate
CID 71348999
4-(1-ethoxyethyl)phenol
CID 15774870
[2-[4-(1-ethoxyethyl)phenyl]-2-hydroxyiminoethyl] acetate
CID 175507003
4-(1-propoxyethyl)benzoic acid
CID 14473433
ethyl 2-(4-acetylphenyl)-3-oxobutanoate
CID 16663890
1-[4-(2-ethoxypropylamino)phenyl]ethanone
CID 114468455
ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063
1-[4-[(2R)-1-hydroperoxypropan-2-yl]phenyl]ethanone
CID 125477987
1-[4-(1-aminoethyl)phenyl]ethanone
CID 45086260
1-[4-(1-fluoropropyl)phenyl]ethanone
CID 84614625
4-[1-(2-methylbutoxy)ethyl]benzoic acid
CID 14473442

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone (CID 124500301) is 1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone is CCO[C@H](C)c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone?
The InChIKey is PICLFGWBTWDYON-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-14-10(3)12-7-5-11(6-8-12)9(2)13/h5-8,10H,4H2,1-3H3/t10-/m1/s1.
What are the key properties of 1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone?
1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone has a molecular weight of 192.26 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone is sourced from PubChem (CID 124500301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).