2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde

C16H16O3 — CID 71394668

IUPAC2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
SMILESCOc1cc(C)c(OCc2ccccc2)cc1C=O
InChIInChI=1S/C16H16O3/c1-12-8-16(18-2)14(10-17)9-15(12)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyYPMMHSOHOBFFCE-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.40
Rot. Bonds5

About 2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde

2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde (PubChem CID 71394668) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
PubChem CID71394668
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
SMILESCOc1cc(C)c(OCc2ccccc2)cc1C=O
InChIInChI=1S/C16H16O3/c1-12-8-16(18-2)14(10-17)9-15(12)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyYPMMHSOHOBFFCE-UHFFFAOYSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-5-methyl-2-[(E)-2-nitroprop-1-enyl]-4-phenylmethoxybenzene
CID 124644927
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde
CID 142270247
4,5-difluoro-2-phenylmethoxybenzaldehyde
CID 129164784
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
4-[5-(4-formyl-5-nitro-2-phenylmethoxyphenoxy)pentoxy]-5-methoxy-2-nitrobenzaldehyde
CID 90421178
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
phenyl 4-formyl-3-methoxy-2-methyl-6-phenylmethoxybenzoate
CID 126598255
5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde
CID 172650078
2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757
3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
CID 57327464

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde?
The IUPAC name of 2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde (CID 71394668) is 2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde?
The canonical SMILES for 2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde is COc1cc(C)c(OCc2ccccc2)cc1C=O.
What is the InChIKey of 2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde?
The InChIKey is YPMMHSOHOBFFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-12-8-16(18-2)14(10-17)9-15(12)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of 2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde?
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde has a molecular weight of 256.30 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde is sourced from PubChem (CID 71394668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).