(2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one

C23H28O6 — CID 11372975

IUPAC(2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one
SMILESC/C=C/c1ccc(OCC)c(O[C@@H](C)C(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C23H28O6/c1-7-9-16-10-11-18(28-8-2)19(12-16)29-15(3)22(24)17-13-20(25-4)23(27-6)21(14-17)26-5/h7,9-15H,8H2,1-6H3/b9-7+/t15-/m0/s1
InChIKeyGHQUKGPFHTWDAA-HEWZJLJBSA-N
MW400.47 g/mol
LogP4.79
Rot. Bonds10

About (2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one

(2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one (PubChem CID 11372975) has the molecular formula C23H28O6 and a molecular weight of 400.47 g/mol. Its IUPAC name is (2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one
PubChem CID11372975
Molecular FormulaC23H28O6
Molecular Weight400.47 g/mol
Exact Mass400.19
IUPAC Name(2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one
SMILESC/C=C/c1ccc(OCC)c(O[C@@H](C)C(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C23H28O6/c1-7-9-16-10-11-18(28-8-2)19(12-16)29-15(3)22(24)17-13-20(25-4)23(27-6)21(14-17)26-5/h7,9-15H,8H2,1-6H3/b9-7+/t15-/m0/s1
InChIKeyGHQUKGPFHTWDAA-HEWZJLJBSA-N
XLogP4.79
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one with MolForge

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Related Compounds

(2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
CID 162960084
ethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate
CID 76914392
[2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate
CID 46865359
2-(2-methoxy-4-prop-1-enylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 78766138
1-(2-methoxy-4-prop-1-enylphenoxy)-3-methylbutan-2-one
CID 79395591
[1-(4-fluorophenyl)-1-oxopropan-2-yl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 18287145
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7253548
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,2,2-trifluoroethyl)propanamide
CID 17393273
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733
N,N-diethyl-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 78766081
[2-ethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate
CID 137451049
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 6125186

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one?
The IUPAC name of (2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one (CID 11372975) is (2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one.
What is the SMILES notation for (2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one?
The canonical SMILES for (2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one is C/C=C/c1ccc(OCC)c(O[C@@H](C)C(=O)c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of (2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one?
The InChIKey is GHQUKGPFHTWDAA-HEWZJLJBSA-N. The full InChI is InChI=1S/C23H28O6/c1-7-9-16-10-11-18(28-8-2)19(12-16)29-15(3)22(24)17-13-20(25-4)23(27-6)21(14-17)26-5/h7,9-15H,8H2,1-6H3/b9-7+/t15-/m0/s1.
What are the key properties of (2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one?
(2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one has a molecular weight of 400.47 g/mol, XLogP of 4.79, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one is sourced from PubChem (CID 11372975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).