4-hydroxy-3,5-dimethoxy-2-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]benzaldehyde

C24H20O5 — CID 177255883

IUPAC4-hydroxy-3,5-dimethoxy-2-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]benzaldehyde
SMILESCOc1cc(C=O)c(-c2ccccc2C=CC(=O)c2ccccc2)c(OC)c1O
InChIInChI=1S/C24H20O5/c1-28-21-14-18(15-25)22(24(29-2)23(21)27)19-11-7-6-8-16(19)12-13-20(26)17-9-4-3-5-10-17/h3-15,27H,1-2H3
InChIKeyMYBAVWDTUZOEQU-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.78
Rot. Bonds7

About 4-hydroxy-3,5-dimethoxy-2-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]benzaldehyde

4-hydroxy-3,5-dimethoxy-2-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]benzaldehyde (PubChem CID 177255883) has the molecular formula C24H20O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethoxy-2-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethoxy-2-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]benzaldehyde
PubChem CID177255883
Molecular FormulaC24H20O5
Molecular Weight388.42 g/mol
Exact Mass388.13
IUPAC Name4-hydroxy-3,5-dimethoxy-2-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]benzaldehyde
SMILESCOc1cc(C=O)c(-c2ccccc2C=CC(=O)c2ccccc2)c(OC)c1O
InChIInChI=1S/C24H20O5/c1-28-21-14-18(15-25)22(24(29-2)23(21)27)19-11-7-6-8-16(19)12-13-20(26)17-9-4-3-5-10-17/h3-15,27H,1-2H3
InChIKeyMYBAVWDTUZOEQU-UHFFFAOYSA-N
XLogP4.78
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
1-phenyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 54454091
(E)-1-(3,4-dimethoxyphenyl)-3-(2-phenylphenyl)prop-2-en-1-one
CID 175745581
3-(3,4-dihydroxy-2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 137379047
3-(5-hydroxy-2,3,4-trimethoxyphenyl)-1-phenylprop-2-en-1-one
CID 141120991
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 3,4,5-trimethoxybenzoate
CID 5089760
(E)-3-[2-(4-fluorophenyl)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 118725330
1-phenyl-3-(2,3,6-trihydroxy-4,5-dimethoxyphenyl)prop-2-en-1-one
CID 174761064
(2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 127042887
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 2-methoxybenzoate
CID 5088439
1-[3-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]phenyl]-3-phenylurea
CID 11188838
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-dimethoxy-2-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]benzaldehyde?
The IUPAC name of 4-hydroxy-3,5-dimethoxy-2-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]benzaldehyde (CID 177255883) is 4-hydroxy-3,5-dimethoxy-2-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]benzaldehyde.
What is the SMILES notation for 4-hydroxy-3,5-dimethoxy-2-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]benzaldehyde?
The canonical SMILES for 4-hydroxy-3,5-dimethoxy-2-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]benzaldehyde is COc1cc(C=O)c(-c2ccccc2C=CC(=O)c2ccccc2)c(OC)c1O.
What is the InChIKey of 4-hydroxy-3,5-dimethoxy-2-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]benzaldehyde?
The InChIKey is MYBAVWDTUZOEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O5/c1-28-21-14-18(15-25)22(24(29-2)23(21)27)19-11-7-6-8-16(19)12-13-20(26)17-9-4-3-5-10-17/h3-15,27H,1-2H3.
What are the key properties of 4-hydroxy-3,5-dimethoxy-2-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]benzaldehyde?
4-hydroxy-3,5-dimethoxy-2-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]benzaldehyde has a molecular weight of 388.42 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-dimethoxy-2-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]benzaldehyde is sourced from PubChem (CID 177255883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).