4-hydroxy-3-[[3-methoxy-4-(methoxymethoxy)phenyl]methoxy]benzaldehyde

C17H18O6 — CID 150489508

IUPAC4-hydroxy-3-[[3-methoxy-4-(methoxymethoxy)phenyl]methoxy]benzaldehyde
SMILESCOCOc1ccc(COc2cc(C=O)ccc2O)cc1OC
InChIInChI=1S/C17H18O6/c1-20-11-23-15-6-4-13(8-17(15)21-2)10-22-16-7-12(9-18)3-5-14(16)19/h3-9,19H,10-11H2,1-2H3
InChIKeyHVMQHAUBRRURKR-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.78
Rot. Bonds8

About 4-hydroxy-3-[[3-methoxy-4-(methoxymethoxy)phenyl]methoxy]benzaldehyde

4-hydroxy-3-[[3-methoxy-4-(methoxymethoxy)phenyl]methoxy]benzaldehyde (PubChem CID 150489508) has the molecular formula C17H18O6 and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-hydroxy-3-[[3-methoxy-4-(methoxymethoxy)phenyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-[[3-methoxy-4-(methoxymethoxy)phenyl]methoxy]benzaldehyde
PubChem CID150489508
Molecular FormulaC17H18O6
Molecular Weight318.33 g/mol
Exact Mass318.11
IUPAC Name4-hydroxy-3-[[3-methoxy-4-(methoxymethoxy)phenyl]methoxy]benzaldehyde
SMILESCOCOc1ccc(COc2cc(C=O)ccc2O)cc1OC
InChIInChI=1S/C17H18O6/c1-20-11-23-15-6-4-13(8-17(15)21-2)10-22-16-7-12(9-18)3-5-14(16)19/h3-9,19H,10-11H2,1-2H3
InChIKeyHVMQHAUBRRURKR-UHFFFAOYSA-N
XLogP2.78
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(hydroxymethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 115969367
3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde
CID 168793636
CID 130345281
CID 130345281
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 53375790
3-[(4-formyl-2-methoxyphenoxy)methyl]benzamide
CID 55631819
3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 78767323
2-methoxy-4-[(2-methoxyphenoxy)methyl]phenol
CID 71421092
3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 876941
3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 103850009

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[[3-methoxy-4-(methoxymethoxy)phenyl]methoxy]benzaldehyde?
The IUPAC name of 4-hydroxy-3-[[3-methoxy-4-(methoxymethoxy)phenyl]methoxy]benzaldehyde (CID 150489508) is 4-hydroxy-3-[[3-methoxy-4-(methoxymethoxy)phenyl]methoxy]benzaldehyde.
What is the SMILES notation for 4-hydroxy-3-[[3-methoxy-4-(methoxymethoxy)phenyl]methoxy]benzaldehyde?
The canonical SMILES for 4-hydroxy-3-[[3-methoxy-4-(methoxymethoxy)phenyl]methoxy]benzaldehyde is COCOc1ccc(COc2cc(C=O)ccc2O)cc1OC.
What is the InChIKey of 4-hydroxy-3-[[3-methoxy-4-(methoxymethoxy)phenyl]methoxy]benzaldehyde?
The InChIKey is HVMQHAUBRRURKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O6/c1-20-11-23-15-6-4-13(8-17(15)21-2)10-22-16-7-12(9-18)3-5-14(16)19/h3-9,19H,10-11H2,1-2H3.
What are the key properties of 4-hydroxy-3-[[3-methoxy-4-(methoxymethoxy)phenyl]methoxy]benzaldehyde?
4-hydroxy-3-[[3-methoxy-4-(methoxymethoxy)phenyl]methoxy]benzaldehyde has a molecular weight of 318.33 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[[3-methoxy-4-(methoxymethoxy)phenyl]methoxy]benzaldehyde is sourced from PubChem (CID 150489508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).