4-methoxybenzaldehyde;toluene

C15H16O2 — CID 174462701

IUPAC4-methoxybenzaldehyde;toluene
SMILESCOc1ccc(C=O)cc1.Cc1ccccc1
InChIInChI=1S/C8H8O2.C7H8/c1-10-8-4-2-7(6-9)3-5-8;1-7-5-3-2-4-6-7/h2-6H,1H3;2-6H,1H3
InChIKeySBIKMTSPCRHOGO-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.50
Rot. Bonds2

About 4-methoxybenzaldehyde;toluene

4-methoxybenzaldehyde;toluene (PubChem CID 174462701) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-methoxybenzaldehyde;toluene.

Molecular Properties

Compound Name4-methoxybenzaldehyde;toluene
PubChem CID174462701
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name4-methoxybenzaldehyde;toluene
SMILESCOc1ccc(C=O)cc1.Cc1ccccc1
InChIInChI=1S/C8H8O2.C7H8/c1-10-8-4-2-7(6-9)3-5-8;1-7-5-3-2-4-6-7/h2-6H,1H3;2-6H,1H3
InChIKeySBIKMTSPCRHOGO-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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Related Compounds

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fluorobenzene;4-methoxybenzaldehyde
CID 175119443
4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde
CID 22973932
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
anisole;benzaldehyde;ethane;methoxymethane
CID 159133619
benzaldehyde;4-methoxyaniline
CID 159915454
4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane
CID 123717319
(E)-3-(4-methoxyphenyl)prop-2-enoyl chloride;toluene
CID 118117364
anisole;ethane;methane;toluene
CID 162203446
anisole;ethane;methoxymethane;toluene
CID 91157363
4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
CID 20510517

Frequently Asked Questions

What is the IUPAC name of 4-methoxybenzaldehyde;toluene?
The IUPAC name of 4-methoxybenzaldehyde;toluene (CID 174462701) is 4-methoxybenzaldehyde;toluene.
What is the SMILES notation for 4-methoxybenzaldehyde;toluene?
The canonical SMILES for 4-methoxybenzaldehyde;toluene is COc1ccc(C=O)cc1.Cc1ccccc1.
What is the InChIKey of 4-methoxybenzaldehyde;toluene?
The InChIKey is SBIKMTSPCRHOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C7H8/c1-10-8-4-2-7(6-9)3-5-8;1-7-5-3-2-4-6-7/h2-6H,1H3;2-6H,1H3.
What are the key properties of 4-methoxybenzaldehyde;toluene?
4-methoxybenzaldehyde;toluene 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 4-methoxybenzaldehyde;toluene is sourced from PubChem (CID 174462701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).