1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one

C26H28O6 — CID 4049023

IUPAC1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
SMILESCOc1cc(C(=O)CCc2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccccc1
InChIInChI=1S/C26H28O6/c1-28-23-16-20(11-13-22(23)32-17-18-8-6-5-7-9-18)21(27)12-10-19-14-24(29-2)26(31-4)25(15-19)30-3/h5-9,11,13-16H,10,12,17H2,1-4H3
InChIKeyXXTUIUWSAAKDKN-UHFFFAOYSA-N
MW436.50 g/mol
LogP5.12
Rot. Bonds11

About 1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one

1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one (PubChem CID 4049023) has the molecular formula C26H28O6 and a molecular weight of 436.50 g/mol. Its IUPAC name is 1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
PubChem CID4049023
Molecular FormulaC26H28O6
Molecular Weight436.50 g/mol
Exact Mass436.19
IUPAC Name1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
SMILESCOc1cc(C(=O)CCc2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccccc1
InChIInChI=1S/C26H28O6/c1-28-23-16-20(11-13-22(23)32-17-18-8-6-5-7-9-18)21(27)12-10-19-14-24(29-2)26(31-4)25(15-19)30-3/h5-9,11,13-16H,10,12,17H2,1-4H3
InChIKeyXXTUIUWSAAKDKN-UHFFFAOYSA-N
XLogP5.12
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.50
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 101165003
3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one
CID 146168049
1-[3,4-bis(phenylmethoxy)phenyl]-3-(6-hydroxy-2,3,4-trimethoxyphenyl)propane-1,3-dione
CID 10119740
1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one
CID 19049285
4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
CID 117484134
3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal
CID 71659035
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 40960600

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one?
The IUPAC name of 1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one (CID 4049023) is 1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one?
The canonical SMILES for 1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one is COc1cc(C(=O)CCc2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccccc1.
What is the InChIKey of 1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one?
The InChIKey is XXTUIUWSAAKDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O6/c1-28-23-16-20(11-13-22(23)32-17-18-8-6-5-7-9-18)21(27)12-10-19-14-24(29-2)26(31-4)25(15-19)30-3/h5-9,11,13-16H,10,12,17H2,1-4H3.
What are the key properties of 1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one?
1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one has a molecular weight of 436.50 g/mol, XLogP of 5.12, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one is sourced from PubChem (CID 4049023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).