1-ethoxyethanol;toluene

C11H18O2 — CID 19827578

IUPAC1-ethoxyethanol;toluene
SMILESCCOC(C)O.Cc1ccccc1
InChIInChI=1S/C7H8.C4H10O2/c1-7-5-3-2-4-6-7;1-3-6-4(2)5/h2-6H,1H3;4-5H,3H2,1-2H3
InChIKeyMCODFDZZQXBXQI-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.36
Rot. Bonds2

About 1-ethoxyethanol;toluene

1-ethoxyethanol;toluene (PubChem CID 19827578) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-ethoxyethanol;toluene.

Molecular Properties

Compound Name1-ethoxyethanol;toluene
PubChem CID19827578
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-ethoxyethanol;toluene
SMILESCCOC(C)O.Cc1ccccc1
InChIInChI=1S/C7H8.C4H10O2/c1-7-5-3-2-4-6-7;1-3-6-4(2)5/h2-6H,1H3;4-5H,3H2,1-2H3
InChIKeyMCODFDZZQXBXQI-UHFFFAOYSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 174411556
toluene;hydrate
CID 22272177

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethanol;toluene?
The IUPAC name of 1-ethoxyethanol;toluene (CID 19827578) is 1-ethoxyethanol;toluene.
What is the SMILES notation for 1-ethoxyethanol;toluene?
The canonical SMILES for 1-ethoxyethanol;toluene is CCOC(C)O.Cc1ccccc1.
What is the InChIKey of 1-ethoxyethanol;toluene?
The InChIKey is MCODFDZZQXBXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H10O2/c1-7-5-3-2-4-6-7;1-3-6-4(2)5/h2-6H,1H3;4-5H,3H2,1-2H3.
What are the key properties of 1-ethoxyethanol;toluene?
1-ethoxyethanol;toluene has a molecular weight of 182.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethanol;toluene is sourced from PubChem (CID 19827578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).