[(1S)-2-ethoxy-1-methoxyethyl]benzene

C11H16O2 — CID 155459528

IUPAC[(1S)-2-ethoxy-1-methoxyethyl]benzene
SMILESCCOC[C@@H](OC)c1ccccc1
InChIInChI=1S/C11H16O2/c1-3-13-9-11(12-2)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3/t11-/m1/s1
InChIKeyDHXMNZKOMPOYHM-LLVKDONJSA-N
MW180.25 g/mol
LogP2.41
Rot. Bonds5

About [(1S)-2-ethoxy-1-methoxyethyl]benzene

[(1S)-2-ethoxy-1-methoxyethyl]benzene (PubChem CID 155459528) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is [(1S)-2-ethoxy-1-methoxyethyl]benzene.

Molecular Properties

Compound Name[(1S)-2-ethoxy-1-methoxyethyl]benzene
PubChem CID155459528
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name[(1S)-2-ethoxy-1-methoxyethyl]benzene
SMILESCCOC[C@@H](OC)c1ccccc1
InChIInChI=1S/C11H16O2/c1-3-13-9-11(12-2)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3/t11-/m1/s1
InChIKeyDHXMNZKOMPOYHM-LLVKDONJSA-N
XLogP2.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 90884874
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CID 3057528
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Frequently Asked Questions

What is the IUPAC name of [(1S)-2-ethoxy-1-methoxyethyl]benzene?
The IUPAC name of [(1S)-2-ethoxy-1-methoxyethyl]benzene (CID 155459528) is [(1S)-2-ethoxy-1-methoxyethyl]benzene.
What is the SMILES notation for [(1S)-2-ethoxy-1-methoxyethyl]benzene?
The canonical SMILES for [(1S)-2-ethoxy-1-methoxyethyl]benzene is CCOC[C@@H](OC)c1ccccc1.
What is the InChIKey of [(1S)-2-ethoxy-1-methoxyethyl]benzene?
The InChIKey is DHXMNZKOMPOYHM-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-13-9-11(12-2)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3/t11-/m1/s1.
What are the key properties of [(1S)-2-ethoxy-1-methoxyethyl]benzene?
[(1S)-2-ethoxy-1-methoxyethyl]benzene has a molecular weight of 180.25 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-ethoxy-1-methoxyethyl]benzene is sourced from PubChem (CID 155459528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).