4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde

C17H18O3 — CID 28880560

IUPAC4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde
SMILESCOc1ccc(COc2c(C)cc(C=O)cc2C)cc1
InChIInChI=1S/C17H18O3/c1-12-8-15(10-18)9-13(2)17(12)20-11-14-4-6-16(19-3)7-5-14/h4-10H,11H2,1-3H3
InChIKeyPVKJZGHYPIMHHE-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.70
Rot. Bonds5

About 4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde

4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde (PubChem CID 28880560) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde
PubChem CID28880560
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde
SMILESCOc1ccc(COc2c(C)cc(C=O)cc2C)cc1
InChIInChI=1S/C17H18O3/c1-12-8-15(10-18)9-13(2)17(12)20-11-14-4-6-16(19-3)7-5-14/h4-10H,11H2,1-3H3
InChIKeyPVKJZGHYPIMHHE-UHFFFAOYSA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.70
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

4-[(4-methoxyphenyl)methoxy]-2,6-dimethylbenzaldehyde
CID 89075943
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 113469448
sodium;1-(chloromethyl)-4-methoxybenzene;3,5-dihydroxy-4-[(4-methoxyphenyl)methoxy]benzaldehyde;hydride;3,4,5-trihydroxybenzaldehyde
CID 165023921
3-formyl-5-[(4-methoxyphenyl)methoxy]benzonitrile
CID 87548973
6-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80632122
3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde
CID 16770145
2-chloro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 89247022
2,4-difluoro-3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 170431907
4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
CID 20510517
4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978
3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde
CID 25120528

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde?
The IUPAC name of 4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde (CID 28880560) is 4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde.
What is the SMILES notation for 4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde?
The canonical SMILES for 4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde is COc1ccc(COc2c(C)cc(C=O)cc2C)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde?
The InChIKey is PVKJZGHYPIMHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12-8-15(10-18)9-13(2)17(12)20-11-14-4-6-16(19-3)7-5-14/h4-10H,11H2,1-3H3.
What are the key properties of 4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde?
4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde has a molecular weight of 270.33 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde is sourced from PubChem (CID 28880560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).