2-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)propanal

C17H18O5 — CID 174815839

IUPAC2-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)propanal
SMILESCOc1ccc(CC(C=O)c2ccc(O)cc2O)c(OC)c1
InChIInChI=1S/C17H18O5/c1-21-14-5-3-11(17(9-14)22-2)7-12(10-18)15-6-4-13(19)8-16(15)20/h3-6,8-10,12,19-20H,7H2,1-2H3
InChIKeyBDVJBYDPOBTYNV-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.64
Rot. Bonds6

About 2-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)propanal

2-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)propanal (PubChem CID 174815839) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)propanal.

Molecular Properties

Compound Name2-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)propanal
PubChem CID174815839
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name2-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)propanal
SMILESCOc1ccc(CC(C=O)c2ccc(O)cc2O)c(OC)c1
InChIInChI=1S/C17H18O5/c1-21-14-5-3-11(17(9-14)22-2)7-12(10-18)15-6-4-13(19)8-16(15)20/h3-6,8-10,12,19-20H,7H2,1-2H3
InChIKeyBDVJBYDPOBTYNV-UHFFFAOYSA-N
XLogP2.64
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
2-(2,4-dimethoxyphenyl)propanedial
CID 98587471
3-(2,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955617
CID 68585306
CID 68585306
2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 84568095
4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol
CID 44611838
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
(2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 100545736
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
2-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)acetamide
CID 84554293
2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one
CID 151498938
3-(2,4-dimethoxyphenyl)butanal
CID 83834095

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)propanal?
The IUPAC name of 2-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)propanal (CID 174815839) is 2-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)propanal.
What is the SMILES notation for 2-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)propanal?
The canonical SMILES for 2-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)propanal is COc1ccc(CC(C=O)c2ccc(O)cc2O)c(OC)c1.
What is the InChIKey of 2-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)propanal?
The InChIKey is BDVJBYDPOBTYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-21-14-5-3-11(17(9-14)22-2)7-12(10-18)15-6-4-13(19)8-16(15)20/h3-6,8-10,12,19-20H,7H2,1-2H3.
What are the key properties of 2-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)propanal?
2-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)propanal has a molecular weight of 302.33 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)propanal is sourced from PubChem (CID 174815839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).