4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde

C16H16O5 — CID 168793636

IUPAC4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1ccc(OCO)cc1
InChIInChI=1S/C16H16O5/c1-19-16-8-13(9-17)4-7-15(16)20-10-12-2-5-14(6-3-12)21-11-18/h2-9,18H,10-11H2,1H3
InChIKeyMGIFRWSHZHNDOP-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.42
Rot. Bonds7

About 4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde

4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde (PubChem CID 168793636) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde
PubChem CID168793636
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1ccc(OCO)cc1
InChIInChI=1S/C16H16O5/c1-19-16-8-13(9-17)4-7-15(16)20-10-12-2-5-14(6-3-12)21-11-18/h2-9,18H,10-11H2,1H3
InChIKeyMGIFRWSHZHNDOP-UHFFFAOYSA-N
XLogP2.42
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 876941
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
4-hydroxy-3-[[3-methoxy-4-(methoxymethoxy)phenyl]methoxy]benzaldehyde
CID 150489508
4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
CID 10562246
5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylic acid
CID 1266840
3-[(4-formyl-2-methoxyphenoxy)methyl]benzamide
CID 55631819
ethane;methane;3-methoxy-4-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methoxy]benzaldehyde
CID 143712184
4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde
CID 59839085
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 53375790
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde?
The IUPAC name of 4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde (CID 168793636) is 4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde.
What is the SMILES notation for 4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde?
The canonical SMILES for 4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde is COc1cc(C=O)ccc1OCc1ccc(OCO)cc1.
What is the InChIKey of 4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde?
The InChIKey is MGIFRWSHZHNDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-19-16-8-13(9-17)4-7-15(16)20-10-12-2-5-14(6-3-12)21-11-18/h2-9,18H,10-11H2,1H3.
What are the key properties of 4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde?
4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde has a molecular weight of 288.30 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 168793636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).