3-phenyl-3-[(3,4,5-trimethoxyphenyl)methoxy]propanoic acid

C19H22O6 — CID 91360158

IUPAC3-phenyl-3-[(3,4,5-trimethoxyphenyl)methoxy]propanoic acid
SMILESCOc1cc(COC(CC(=O)O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H22O6/c1-22-16-9-13(10-17(23-2)19(16)24-3)12-25-15(11-18(20)21)14-7-5-4-6-8-14/h4-10,15H,11-12H2,1-3H3,(H,20,21)
InChIKeyQUFSSSKVLBNRLC-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.44
Rot. Bonds9

About 3-phenyl-3-[(3,4,5-trimethoxyphenyl)methoxy]propanoic acid

3-phenyl-3-[(3,4,5-trimethoxyphenyl)methoxy]propanoic acid (PubChem CID 91360158) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-phenyl-3-[(3,4,5-trimethoxyphenyl)methoxy]propanoic acid.

Molecular Properties

Compound Name3-phenyl-3-[(3,4,5-trimethoxyphenyl)methoxy]propanoic acid
PubChem CID91360158
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Name3-phenyl-3-[(3,4,5-trimethoxyphenyl)methoxy]propanoic acid
SMILESCOc1cc(COC(CC(=O)O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H22O6/c1-22-16-9-13(10-17(23-2)19(16)24-3)12-25-15(11-18(20)21)14-7-5-4-6-8-14/h4-10,15H,11-12H2,1-3H3,(H,20,21)
InChIKeyQUFSSSKVLBNRLC-UHFFFAOYSA-N
XLogP3.44
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4,5-trimethoxyphenyl)methyl (3S)-3-acetamido-3-phenylpropanoate
CID 9095588
3-methoxy-3-phenylpropanoic acid
CID 13379217
3-[4-(1-oxo-1-phenylmethoxypropan-2-yl)phenyl]-3-phenylmethoxypropanoic acid
CID 142632550
N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9330254
ethane-1,2-diol;methyl 3-phenyl-3-phenylmethoxypropanoate
CID 174718709
2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide
CID 175712395
(2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid
CID 119367644
methyl 2-methylidene-4-phenyl-4-phenylmethoxybutanoate
CID 10946388
N-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55588897
1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione
CID 2731026
2-amino-2-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119272323
bis[2-(dimethylamino)-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butyl] (Z)-but-2-enedioate
CID 70523801

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-[(3,4,5-trimethoxyphenyl)methoxy]propanoic acid?
The IUPAC name of 3-phenyl-3-[(3,4,5-trimethoxyphenyl)methoxy]propanoic acid (CID 91360158) is 3-phenyl-3-[(3,4,5-trimethoxyphenyl)methoxy]propanoic acid.
What is the SMILES notation for 3-phenyl-3-[(3,4,5-trimethoxyphenyl)methoxy]propanoic acid?
The canonical SMILES for 3-phenyl-3-[(3,4,5-trimethoxyphenyl)methoxy]propanoic acid is COc1cc(COC(CC(=O)O)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3-phenyl-3-[(3,4,5-trimethoxyphenyl)methoxy]propanoic acid?
The InChIKey is QUFSSSKVLBNRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O6/c1-22-16-9-13(10-17(23-2)19(16)24-3)12-25-15(11-18(20)21)14-7-5-4-6-8-14/h4-10,15H,11-12H2,1-3H3,(H,20,21).
What are the key properties of 3-phenyl-3-[(3,4,5-trimethoxyphenyl)methoxy]propanoic acid?
3-phenyl-3-[(3,4,5-trimethoxyphenyl)methoxy]propanoic acid has a molecular weight of 346.38 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-[(3,4,5-trimethoxyphenyl)methoxy]propanoic acid is sourced from PubChem (CID 91360158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).