(E)-1-[2-hydroxy-6-methoxy-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one

C23H25NO4 — CID 138507943

IUPAC(E)-1-[2-hydroxy-6-methoxy-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2c(OC)cc(C)c(C3=CCNCC3)c2O)cc1
InChIInChI=1S/C23H25NO4/c1-15-14-20(28-3)22(23(26)21(15)17-10-12-24-13-11-17)19(25)9-6-16-4-7-18(27-2)8-5-16/h4-10,14,24,26H,11-13H2,1-3H3/b9-6+
InChIKeyLVVQHPWPYWEOGS-RMKNXTFCSA-N
MW379.46 g/mol
LogP3.99
Rot. Bonds6

About (E)-1-[2-hydroxy-6-methoxy-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one

(E)-1-[2-hydroxy-6-methoxy-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 138507943) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is (E)-1-[2-hydroxy-6-methoxy-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[2-hydroxy-6-methoxy-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID138507943
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name(E)-1-[2-hydroxy-6-methoxy-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2c(OC)cc(C)c(C3=CCNCC3)c2O)cc1
InChIInChI=1S/C23H25NO4/c1-15-14-20(28-3)22(23(26)21(15)17-10-12-24-13-11-17)19(25)9-6-16-4-7-18(27-2)8-5-16/h4-10,14,24,26H,11-13H2,1-3H3/b9-6+
InChIKeyLVVQHPWPYWEOGS-RMKNXTFCSA-N
XLogP3.99
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-1-[2-hydroxy-6-methoxy-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-5-methoxy-2-[(E)-3-(4-methylphenyl)prop-2-enoyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzaldehyde
CID 138507979
(E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 5378566
3-(4-methoxyphenyl)-1-(2,4,5-trimethylphenyl)prop-2-en-1-one
CID 3441199
[3,5-dimethoxy-2-[(E)-3-(4-methoxyphenyl)(1,2,3-13C3)prop-2-enoyl]phenyl] acetate
CID 46702268
[4-[3-(4-acetyloxy-2-hydroxy-6-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] acetate
CID 74110996
1-(2,4-dimethoxy-6-methylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 71963848
1-(2-hydroxy-6-methoxy-4-methylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 70481141
4-[(E)-3-oxo-3-(2,4,6-trimethoxyphenyl)prop-1-enyl]benzoic acid
CID 10020239
(E)-1-(4-hydroxy-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 143338501
4-[3-[2-hydroxy-4-(hydroxymethyl)-6-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-3-oxoprop-1-enyl]benzonitrile
CID 123202431
(E)-1-(5-acetyl-2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 6447960
(E)-3-(6-methoxynaphthalen-2-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 7946120

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-hydroxy-6-methoxy-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-[2-hydroxy-6-methoxy-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one (CID 138507943) is (E)-1-[2-hydroxy-6-methoxy-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[2-hydroxy-6-methoxy-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[2-hydroxy-6-methoxy-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)c2c(OC)cc(C)c(C3=CCNCC3)c2O)cc1.
What is the InChIKey of (E)-1-[2-hydroxy-6-methoxy-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is LVVQHPWPYWEOGS-RMKNXTFCSA-N. The full InChI is InChI=1S/C23H25NO4/c1-15-14-20(28-3)22(23(26)21(15)17-10-12-24-13-11-17)19(25)9-6-16-4-7-18(27-2)8-5-16/h4-10,14,24,26H,11-13H2,1-3H3/b9-6+.
What are the key properties of (E)-1-[2-hydroxy-6-methoxy-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one?
(E)-1-[2-hydroxy-6-methoxy-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 379.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-hydroxy-6-methoxy-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 138507943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).