3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde

C17H18O5 — CID 57327464

IUPAC3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
SMILESCOc1cc(OC)c(OC)c(OCc2ccccc2)c1C=O
InChIInChI=1S/C17H18O5/c1-19-14-9-15(20-2)17(21-3)16(13(14)10-18)22-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKeyRNZLZCNKDFNVDC-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.10
Rot. Bonds7

About 3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde

3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde (PubChem CID 57327464) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
PubChem CID57327464
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
SMILESCOc1cc(OC)c(OC)c(OCc2ccccc2)c1C=O
InChIInChI=1S/C17H18O5/c1-19-14-9-15(20-2)17(21-3)16(13(14)10-18)22-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKeyRNZLZCNKDFNVDC-UHFFFAOYSA-N
XLogP3.10
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde
CID 90458250
(E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)prop-2-enal
CID 11781494
3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal
CID 71659035
3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde
CID 146193205
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde
CID 71408995
methyl 2-bromo-4,5-dimethoxy-3-phenylmethoxybenzoate
CID 164681646
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde
CID 142270247

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde?
The IUPAC name of 3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde (CID 57327464) is 3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde.
What is the SMILES notation for 3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde?
The canonical SMILES for 3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde is COc1cc(OC)c(OC)c(OCc2ccccc2)c1C=O.
What is the InChIKey of 3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde?
The InChIKey is RNZLZCNKDFNVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-19-14-9-15(20-2)17(21-3)16(13(14)10-18)22-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3.
What are the key properties of 3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde?
3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde has a molecular weight of 302.33 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde is sourced from PubChem (CID 57327464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).