2-[3-hydroxy-5-[(4-methoxyphenyl)methoxy]phenyl]acetaldehyde

C16H16O4 — CID 89258147

IUPAC2-[3-hydroxy-5-[(4-methoxyphenyl)methoxy]phenyl]acetaldehyde
SMILESCOc1ccc(COc2cc(O)cc(CC=O)c2)cc1
InChIInChI=1S/C16H16O4/c1-19-15-4-2-12(3-5-15)11-20-16-9-13(6-7-17)8-14(18)10-16/h2-5,7-10,18H,6,11H2,1H3
InChIKeyGSVQUSTVHNVZBN-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.72
Rot. Bonds6

About 2-[3-hydroxy-5-[(4-methoxyphenyl)methoxy]phenyl]acetaldehyde

2-[3-hydroxy-5-[(4-methoxyphenyl)methoxy]phenyl]acetaldehyde (PubChem CID 89258147) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[3-hydroxy-5-[(4-methoxyphenyl)methoxy]phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[3-hydroxy-5-[(4-methoxyphenyl)methoxy]phenyl]acetaldehyde
PubChem CID89258147
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2-[3-hydroxy-5-[(4-methoxyphenyl)methoxy]phenyl]acetaldehyde
SMILESCOc1ccc(COc2cc(O)cc(CC=O)c2)cc1
InChIInChI=1S/C16H16O4/c1-19-15-4-2-12(3-5-15)11-20-16-9-13(6-7-17)8-14(18)10-16/h2-5,7-10,18H,6,11H2,1H3
InChIKeyGSVQUSTVHNVZBN-UHFFFAOYSA-N
XLogP2.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyethyl)-5-[(4-methoxyphenyl)methoxy]phenol
CID 143727870
3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenol
CID 54586280
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylbenzaldehyde
CID 89075943
3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol
CID 70951574
4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 28880560
2,3-bis[[4-[(4-methoxyphenyl)methoxy]phenyl]methylidene]butanedial
CID 72968223
2-chloro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 89247022
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
3,5-bis[2-(4-methoxyphenyl)ethyl]phenol
CID 172870864
2-hydroxy-4-[(4-methoxyphenyl)methoxy]-N-methylbenzamide
CID 68959972
3-[(4-tert-butylphenyl)methoxy]-5-(hydroxymethyl)phenol
CID 101207534
2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 118663690

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-5-[(4-methoxyphenyl)methoxy]phenyl]acetaldehyde?
The IUPAC name of 2-[3-hydroxy-5-[(4-methoxyphenyl)methoxy]phenyl]acetaldehyde (CID 89258147) is 2-[3-hydroxy-5-[(4-methoxyphenyl)methoxy]phenyl]acetaldehyde.
What is the SMILES notation for 2-[3-hydroxy-5-[(4-methoxyphenyl)methoxy]phenyl]acetaldehyde?
The canonical SMILES for 2-[3-hydroxy-5-[(4-methoxyphenyl)methoxy]phenyl]acetaldehyde is COc1ccc(COc2cc(O)cc(CC=O)c2)cc1.
What is the InChIKey of 2-[3-hydroxy-5-[(4-methoxyphenyl)methoxy]phenyl]acetaldehyde?
The InChIKey is GSVQUSTVHNVZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-15-4-2-12(3-5-15)11-20-16-9-13(6-7-17)8-14(18)10-16/h2-5,7-10,18H,6,11H2,1H3.
What are the key properties of 2-[3-hydroxy-5-[(4-methoxyphenyl)methoxy]phenyl]acetaldehyde?
2-[3-hydroxy-5-[(4-methoxyphenyl)methoxy]phenyl]acetaldehyde has a molecular weight of 272.30 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-5-[(4-methoxyphenyl)methoxy]phenyl]acetaldehyde is sourced from PubChem (CID 89258147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).