benzaldehyde;2,3-dimethylbenzaldehyde

C16H16O2 — CID 174844516

IUPACbenzaldehyde;2,3-dimethylbenzaldehyde
SMILESCc1cccc(C=O)c1C.O=Cc1ccccc1
InChIInChI=1S/C9H10O.C7H6O/c1-7-4-3-5-9(6-10)8(7)2;8-6-7-4-2-1-3-5-7/h3-6H,1-2H3;1-6H
InChIKeyJKFFYXNTOBMODA-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.62
Rot. Bonds2

About benzaldehyde;2,3-dimethylbenzaldehyde

benzaldehyde;2,3-dimethylbenzaldehyde (PubChem CID 174844516) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is benzaldehyde;2,3-dimethylbenzaldehyde.

Molecular Properties

Compound Namebenzaldehyde;2,3-dimethylbenzaldehyde
PubChem CID174844516
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Namebenzaldehyde;2,3-dimethylbenzaldehyde
SMILESCc1cccc(C=O)c1C.O=Cc1ccccc1
InChIInChI=1S/C9H10O.C7H6O/c1-7-4-3-5-9(6-10)8(7)2;8-6-7-4-2-1-3-5-7/h3-6H,1-2H3;1-6H
InChIKeyJKFFYXNTOBMODA-UHFFFAOYSA-N
XLogP3.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzaldehyde;2,3-dimethylbenzaldehyde?
The IUPAC name of benzaldehyde;2,3-dimethylbenzaldehyde (CID 174844516) is benzaldehyde;2,3-dimethylbenzaldehyde.
What is the SMILES notation for benzaldehyde;2,3-dimethylbenzaldehyde?
The canonical SMILES for benzaldehyde;2,3-dimethylbenzaldehyde is Cc1cccc(C=O)c1C.O=Cc1ccccc1.
What is the InChIKey of benzaldehyde;2,3-dimethylbenzaldehyde?
The InChIKey is JKFFYXNTOBMODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C7H6O/c1-7-4-3-5-9(6-10)8(7)2;8-6-7-4-2-1-3-5-7/h3-6H,1-2H3;1-6H.
What are the key properties of benzaldehyde;2,3-dimethylbenzaldehyde?
benzaldehyde;2,3-dimethylbenzaldehyde has a molecular weight of 240.30 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;2,3-dimethylbenzaldehyde is sourced from PubChem (CID 174844516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).