3-(2,6-dipropoxy-3-propylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one

C24H30O4 — CID 54070551

IUPAC3-(2,6-dipropoxy-3-propylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
SMILESCCCOc1ccc(CCC)c(OCCC)c1C=CC(=O)c1ccc(O)cc1
InChIInChI=1S/C24H30O4/c1-4-7-19-10-15-23(27-16-5-2)21(24(19)28-17-6-3)13-14-22(26)18-8-11-20(25)12-9-18/h8-15,25H,4-7,16-17H2,1-3H3
InChIKeyMGCXQSWUSIMTLL-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.82
Rot. Bonds11

About 3-(2,6-dipropoxy-3-propylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one

3-(2,6-dipropoxy-3-propylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one (PubChem CID 54070551) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-(2,6-dipropoxy-3-propylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(2,6-dipropoxy-3-propylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
PubChem CID54070551
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Name3-(2,6-dipropoxy-3-propylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
SMILESCCCOc1ccc(CCC)c(OCCC)c1C=CC(=O)c1ccc(O)cc1
InChIInChI=1S/C24H30O4/c1-4-7-19-10-15-23(27-16-5-2)21(24(19)28-17-6-3)13-14-22(26)18-8-11-20(25)12-9-18/h8-15,25H,4-7,16-17H2,1-3H3
InChIKeyMGCXQSWUSIMTLL-UHFFFAOYSA-N
XLogP5.82
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-3-(2,6-dipropoxy-3-propylphenyl)prop-2-en-1-one
CID 54245429
(E)-1-(4-aminophenyl)-3-(2,6-dimethoxy-3-propylphenyl)prop-2-en-1-one
CID 18178426
4-[(E)-3-[2,6-bis[(2-methylpropan-2-yl)oxy]-3-propylphenyl]prop-2-enoyl]-N,N-dimethylbenzamide
CID 18178798
(E)-3-(2-ethoxy-3,5-diethyl-6-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 18178675
(E)-3-(4-hydroxy-2-methoxy-3,5-dipropylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 18178979
3-propoxy-4-propylphenol
CID 22123839
[4-[(E)-3-(2,6-diethoxy-3-prop-2-enylphenyl)prop-2-enoyl]phenyl] 2,2-dimethylpropanoate
CID 18178624
3-(2-methyl-3,4-dipropoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 54350459
(E)-1-(4-propylsulfanylphenyl)-3-(3,4,5-tripropoxyphenyl)prop-2-en-1-one
CID 19824741
1-(3,4-dipropoxyphenyl)-3-hydroxyprop-2-en-1-one
CID 28896001
[4-[(E)-3-(2,6-dipropoxyphenyl)prop-2-enoyl]phenoxy]methyl 2,2-dimethylpropanoate
CID 18178046
1-(4-aminophenyl)-3-(3,5-ditert-butyl-2-hydroxy-6-propoxyphenyl)prop-2-en-1-one
CID 54485619

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dipropoxy-3-propylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-(2,6-dipropoxy-3-propylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one (CID 54070551) is 3-(2,6-dipropoxy-3-propylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(2,6-dipropoxy-3-propylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(2,6-dipropoxy-3-propylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one is CCCOc1ccc(CCC)c(OCCC)c1C=CC(=O)c1ccc(O)cc1.
What is the InChIKey of 3-(2,6-dipropoxy-3-propylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is MGCXQSWUSIMTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O4/c1-4-7-19-10-15-23(27-16-5-2)21(24(19)28-17-6-3)13-14-22(26)18-8-11-20(25)12-9-18/h8-15,25H,4-7,16-17H2,1-3H3.
What are the key properties of 3-(2,6-dipropoxy-3-propylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one?
3-(2,6-dipropoxy-3-propylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 382.50 g/mol, XLogP of 5.82, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dipropoxy-3-propylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 54070551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).