ethanol;2-methylbenzaldehyde

C10H14O2 — CID 161286186

IUPACethanol;2-methylbenzaldehyde
SMILESCCO.Cc1ccccc1C=O
InChIInChI=1S/C8H8O.C2H6O/c1-7-4-2-3-5-8(7)6-9;1-2-3/h2-6H,1H3;3H,2H2,1H3
InChIKeyVFTDTRAGNGOMBD-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.81
Rot. Bonds1

About ethanol;2-methylbenzaldehyde

ethanol;2-methylbenzaldehyde (PubChem CID 161286186) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is ethanol;2-methylbenzaldehyde.

Molecular Properties

Compound Nameethanol;2-methylbenzaldehyde
PubChem CID161286186
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Nameethanol;2-methylbenzaldehyde
SMILESCCO.Cc1ccccc1C=O
InChIInChI=1S/C8H8O.C2H6O/c1-7-4-2-3-5-8(7)6-9;1-2-3/h2-6H,1H3;3H,2H2,1H3
InChIKeyVFTDTRAGNGOMBD-UHFFFAOYSA-N
XLogP1.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-methylbenzaldehyde;phenol
CID 88733801
ethane;2-(methylamino)prop-2-enoic acid;2-methylbenzaldehyde
CID 143679518
ethanol;2-nitrobenzaldehyde
CID 175129011
2-butylbenzaldehyde;1-butyl-2-methylbenzene
CID 88505905
2-hydroxy-3-(2-methylphenoxy)benzaldehyde
CID 13066661
(Z)-4-(2-methylphenyl)but-3-enal
CID 117268062
1-methyl-2-(2-methylbut-1-enyl)benzene
CID 123992258
formic acid;1,2-xylene
CID 175948526
bis(2-ethyl-2-(hydroxymethyl)propane-1,3-diol);2-hydroxybenzaldehyde
CID 175183399
ethanol;bis(2-methylphenol);titanium
CID 22238726
2-(2-formyl-6-methylphenoxy)butanoic acid
CID 112611069
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385

Frequently Asked Questions

What is the IUPAC name of ethanol;2-methylbenzaldehyde?
The IUPAC name of ethanol;2-methylbenzaldehyde (CID 161286186) is ethanol;2-methylbenzaldehyde.
What is the SMILES notation for ethanol;2-methylbenzaldehyde?
The canonical SMILES for ethanol;2-methylbenzaldehyde is CCO.Cc1ccccc1C=O.
What is the InChIKey of ethanol;2-methylbenzaldehyde?
The InChIKey is VFTDTRAGNGOMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C2H6O/c1-7-4-2-3-5-8(7)6-9;1-2-3/h2-6H,1H3;3H,2H2,1H3.
What are the key properties of ethanol;2-methylbenzaldehyde?
ethanol;2-methylbenzaldehyde has a molecular weight of 166.22 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-methylbenzaldehyde is sourced from PubChem (CID 161286186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).