benzaldehyde;1-methoxy-4-methylbenzene

C15H16O2 — CID 142165597

IUPACbenzaldehyde;1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1.O=Cc1ccccc1
InChIInChI=1S/C8H10O.C7H6O/c1-7-3-5-8(9-2)6-4-7;8-6-7-4-2-1-3-5-7/h3-6H,1-2H3;1-6H
InChIKeyFNKPNHUSYBQRPS-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.50
Rot. Bonds2

About benzaldehyde;1-methoxy-4-methylbenzene

benzaldehyde;1-methoxy-4-methylbenzene (PubChem CID 142165597) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is benzaldehyde;1-methoxy-4-methylbenzene.

Molecular Properties

Compound Namebenzaldehyde;1-methoxy-4-methylbenzene
PubChem CID142165597
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Namebenzaldehyde;1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1.O=Cc1ccccc1
InChIInChI=1S/C8H10O.C7H6O/c1-7-3-5-8(9-2)6-4-7;8-6-7-4-2-1-3-5-7/h3-6H,1-2H3;1-6H
InChIKeyFNKPNHUSYBQRPS-UHFFFAOYSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.50
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;1-methoxy-4-methylbenzene?
The IUPAC name of benzaldehyde;1-methoxy-4-methylbenzene (CID 142165597) is benzaldehyde;1-methoxy-4-methylbenzene.
What is the SMILES notation for benzaldehyde;1-methoxy-4-methylbenzene?
The canonical SMILES for benzaldehyde;1-methoxy-4-methylbenzene is COc1ccc(C)cc1.O=Cc1ccccc1.
What is the InChIKey of benzaldehyde;1-methoxy-4-methylbenzene?
The InChIKey is FNKPNHUSYBQRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C7H6O/c1-7-3-5-8(9-2)6-4-7;8-6-7-4-2-1-3-5-7/h3-6H,1-2H3;1-6H.
What are the key properties of benzaldehyde;1-methoxy-4-methylbenzene?
benzaldehyde;1-methoxy-4-methylbenzene has a molecular weight of 228.29 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;1-methoxy-4-methylbenzene is sourced from PubChem (CID 142165597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).