5-methyl-2-phenylmethoxybenzaldehyde

C15H14O2 — CID 1247883

IUPAC5-methyl-2-phenylmethoxybenzaldehyde
SMILESCc1ccc(OCc2ccccc2)c(C=O)c1
InChIInChI=1S/C15H14O2/c1-12-7-8-15(14(9-12)10-16)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyURUADHCSAWIRCM-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.39
Rot. Bonds4

About 5-methyl-2-phenylmethoxybenzaldehyde

5-methyl-2-phenylmethoxybenzaldehyde (PubChem CID 1247883) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-methyl-2-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name5-methyl-2-phenylmethoxybenzaldehyde
PubChem CID1247883
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name5-methyl-2-phenylmethoxybenzaldehyde
SMILESCc1ccc(OCc2ccccc2)c(C=O)c1
InChIInChI=1S/C15H14O2/c1-12-7-8-15(14(9-12)10-16)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyURUADHCSAWIRCM-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.39
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

ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
5-methyl-2-(3-phenylpropoxy)benzaldehyde
CID 54794870
2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde
CID 55206091
5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde
CID 172650078
5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 63324438
5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 63529851
5-methyl-2-(2-phenoxyethoxy)benzaldehyde
CID 54794871
2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304
2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenylmethoxybenzaldehyde?
The IUPAC name of 5-methyl-2-phenylmethoxybenzaldehyde (CID 1247883) is 5-methyl-2-phenylmethoxybenzaldehyde.
What is the SMILES notation for 5-methyl-2-phenylmethoxybenzaldehyde?
The canonical SMILES for 5-methyl-2-phenylmethoxybenzaldehyde is Cc1ccc(OCc2ccccc2)c(C=O)c1.
What is the InChIKey of 5-methyl-2-phenylmethoxybenzaldehyde?
The InChIKey is URUADHCSAWIRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-12-7-8-15(14(9-12)10-16)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 5-methyl-2-phenylmethoxybenzaldehyde?
5-methyl-2-phenylmethoxybenzaldehyde has a molecular weight of 226.28 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenylmethoxybenzaldehyde is sourced from PubChem (CID 1247883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).