1-[(1R)-1-ethoxyethyl]-4-methylbenzene

C11H16O — CID 11130348

IUPAC1-[(1R)-1-ethoxyethyl]-4-methylbenzene
SMILESCCO[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C11H16O/c1-4-12-10(3)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3/t10-/m1/s1
InChIKeyDEJMBZMSBBRITN-SNVBAGLBSA-N
MW164.25 g/mol
LogP3.09
Rot. Bonds3

About 1-[(1R)-1-ethoxyethyl]-4-methylbenzene

1-[(1R)-1-ethoxyethyl]-4-methylbenzene (PubChem CID 11130348) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-[(1R)-1-ethoxyethyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(1R)-1-ethoxyethyl]-4-methylbenzene
PubChem CID11130348
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-[(1R)-1-ethoxyethyl]-4-methylbenzene
SMILESCCO[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C11H16O/c1-4-12-10(3)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3/t10-/m1/s1
InChIKeyDEJMBZMSBBRITN-SNVBAGLBSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-ethoxyethyl)phenol
CID 15774870
1-(fluoromethyl)-4-[1-(4-methylphenyl)ethoxymethyl]benzene
CID 71092074
1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone
CID 124500301
1-methyl-4-(1-phenylmethoxyethyl)benzene
CID 135034119
1-[1-(3-bromopropoxy)ethyl]-4-methylbenzene
CID 134571150
4-[4-(1-ethoxyethyl)phenyl]-1-ethyl-5-methylpyrazole
CID 162634400
4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethyl-1H-pyrazole
CID 95201153
4-[(1S)-1-ethoxyethyl]benzenesulfonyl chloride
CID 124528667
(2S)-2-[[(1R)-1-(4-methylphenyl)ethoxy]methyl]oxirane
CID 97180239
2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 115724375
1-(1-ethoxyethyl)-4-(4-hexoxyphenyl)benzene
CID 139693966
3-[4-[(1S)-1-ethoxyethyl]phenyl]-5,6-dimethyl-1H-pyridin-2-one
CID 164642017

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-ethoxyethyl]-4-methylbenzene?
The IUPAC name of 1-[(1R)-1-ethoxyethyl]-4-methylbenzene (CID 11130348) is 1-[(1R)-1-ethoxyethyl]-4-methylbenzene.
What is the SMILES notation for 1-[(1R)-1-ethoxyethyl]-4-methylbenzene?
The canonical SMILES for 1-[(1R)-1-ethoxyethyl]-4-methylbenzene is CCO[C@H](C)c1ccc(C)cc1.
What is the InChIKey of 1-[(1R)-1-ethoxyethyl]-4-methylbenzene?
The InChIKey is DEJMBZMSBBRITN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16O/c1-4-12-10(3)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3/t10-/m1/s1.
What are the key properties of 1-[(1R)-1-ethoxyethyl]-4-methylbenzene?
1-[(1R)-1-ethoxyethyl]-4-methylbenzene has a molecular weight of 164.25 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-ethoxyethyl]-4-methylbenzene is sourced from PubChem (CID 11130348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).