(2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one

C22H26O7 — CID 162960084

IUPAC(2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
SMILESCC=Cc1cc(OC)c(O[C@H](C)C(=O)c2cc(OC)c(O)c(OC)c2)c(OC)c1
InChIInChI=1S/C22H26O7/c1-7-8-14-9-18(27-5)22(19(10-14)28-6)29-13(2)20(23)15-11-16(25-3)21(24)17(12-15)26-4/h7-13,24H,1-6H3/t13-/m1/s1
InChIKeySTQNCEXOANEFDF-CYBMUJFWSA-N
MW402.44 g/mol
LogP4.11
Rot. Bonds9

About (2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one

(2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one (PubChem CID 162960084) has the molecular formula C22H26O7 and a molecular weight of 402.44 g/mol. Its IUPAC name is (2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
PubChem CID162960084
Molecular FormulaC22H26O7
Molecular Weight402.44 g/mol
Exact Mass402.17
IUPAC Name(2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
SMILESCC=Cc1cc(OC)c(O[C@H](C)C(=O)c2cc(OC)c(O)c(OC)c2)c(OC)c1
InChIInChI=1S/C22H26O7/c1-7-8-14-9-18(27-5)22(19(10-14)28-6)29-13(2)20(23)15-11-16(25-3)21(24)17(12-15)26-4/h7-13,24H,1-6H3/t13-/m1/s1
InChIKeySTQNCEXOANEFDF-CYBMUJFWSA-N
XLogP4.11
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-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

(2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 11372975
4-[(2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)propyl]-2,6-dimethoxyphenol
CID 162900786
2-(4-bromo-2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 68630537
4-[2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-hydroxyethyl]-2,6-dimethoxyphenol
CID 162462066
(1S,2R)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 44559993
2-methoxy-6-methyl-4-[(E)-prop-1-enyl]phenol
CID 45266886
2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid
CID 84819506
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
2-(2-bromoethoxy)-6-methoxy-4-prop-1-enylphenol
CID 162516156
(2,6-dimethoxy-4-prop-1-enylphenyl) 2-methylbut-2-enoate
CID 162967037
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
CID 155216963
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
CID 57041223

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one?
The IUPAC name of (2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one (CID 162960084) is (2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one.
What is the SMILES notation for (2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one?
The canonical SMILES for (2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one is CC=Cc1cc(OC)c(O[C@H](C)C(=O)c2cc(OC)c(O)c(OC)c2)c(OC)c1.
What is the InChIKey of (2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one?
The InChIKey is STQNCEXOANEFDF-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H26O7/c1-7-8-14-9-18(27-5)22(19(10-14)28-6)29-13(2)20(23)15-11-16(25-3)21(24)17(12-15)26-4/h7-13,24H,1-6H3/t13-/m1/s1.
What are the key properties of (2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one?
(2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one has a molecular weight of 402.44 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one is sourced from PubChem (CID 162960084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).