benzaldehyde;methane

C8H10O — CID 88713352

IUPACbenzaldehyde;methane
SMILESC.O=Cc1ccccc1
InChIInChI=1S/C7H6O.CH4/c8-6-7-4-2-1-3-5-7;/h1-6H;1H4
InChIKeyYNKMHABLMGIIFX-UHFFFAOYSA-N
MW122.17 g/mol
LogP2.14
Rot. Bonds1

About benzaldehyde;methane

benzaldehyde;methane (PubChem CID 88713352) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is benzaldehyde;methane.

Molecular Properties

Compound Namebenzaldehyde;methane
PubChem CID88713352
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Namebenzaldehyde;methane
SMILESC.O=Cc1ccccc1
InChIInChI=1S/C7H6O.CH4/c8-6-7-4-2-1-3-5-7;/h1-6H;1H4
InChIKeyYNKMHABLMGIIFX-UHFFFAOYSA-N
XLogP2.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze benzaldehyde;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;methane?
The IUPAC name of benzaldehyde;methane (CID 88713352) is benzaldehyde;methane.
What is the SMILES notation for benzaldehyde;methane?
The canonical SMILES for benzaldehyde;methane is C.O=Cc1ccccc1.
What is the InChIKey of benzaldehyde;methane?
The InChIKey is YNKMHABLMGIIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O.CH4/c8-6-7-4-2-1-3-5-7;/h1-6H;1H4.
What are the key properties of benzaldehyde;methane?
benzaldehyde;methane has a molecular weight of 122.17 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;methane is sourced from PubChem (CID 88713352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).