(3R)-3-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-phenylpropanoic acid

C20H24O4 — CID 11359377

IUPAC(3R)-3-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-phenylpropanoic acid
SMILESCOc1c(C)c(C)c(OC)c([C@H](CC(=O)O)c2ccccc2)c1C
InChIInChI=1S/C20H24O4/c1-12-13(2)20(24-5)18(14(3)19(12)23-4)16(11-17(21)22)15-9-7-6-8-10-15/h6-10,16H,11H2,1-5H3,(H,21,22)/t16-/m1/s1
InChIKeyOWENOXPPBQMYBG-MRXNPFEDSA-N
MW328.41 g/mol
LogP4.24
Rot. Bonds6

About (3R)-3-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-phenylpropanoic acid

(3R)-3-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-phenylpropanoic acid (PubChem CID 11359377) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (3R)-3-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-phenylpropanoic acid
PubChem CID11359377
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name(3R)-3-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-phenylpropanoic acid
SMILESCOc1c(C)c(C)c(OC)c([C@H](CC(=O)O)c2ccccc2)c1C
InChIInChI=1S/C20H24O4/c1-12-13(2)20(24-5)18(14(3)19(12)23-4)16(11-17(21)22)15-9-7-6-8-10-15/h6-10,16H,11H2,1-5H3,(H,21,22)/t16-/m1/s1
InChIKeyOWENOXPPBQMYBG-MRXNPFEDSA-N
XLogP4.24
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dimethoxyphenyl)-3-phenylpropanoic acid
CID 175042356
1-(4-iodo-1-phenylbutyl)-2,5-dimethoxy-3,4,6-trimethylbenzene
CID 19088027
3-(5-methoxy-1H-indol-4-yl)-3-phenylpropanoic acid
CID 141173335
3-(3,4-dimethylphenyl)-3-phenylpropanoic acid
CID 166063960
3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid
CID 116953051
3-methoxy-3-phenylpropanoic acid
CID 13379217
[6-(2,5-dimethoxy-3,4,6-trimethylphenyl)-6-pyridin-3-ylhexyl] acetate
CID 14576271
4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one
CID 102313835
3-amino-3-(3-methoxy-2,4-dimethylphenyl)propanoic acid
CID 117319634
3-(4-hydroxy-2-oxochromen-3-yl)-3-(4-methoxyphenyl)propanoic acid
CID 54687528
3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 2939109
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-phenylpropanoic acid?
The IUPAC name of (3R)-3-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-phenylpropanoic acid (CID 11359377) is (3R)-3-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-phenylpropanoic acid.
What is the SMILES notation for (3R)-3-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-phenylpropanoic acid?
The canonical SMILES for (3R)-3-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-phenylpropanoic acid is COc1c(C)c(C)c(OC)c([C@H](CC(=O)O)c2ccccc2)c1C.
What is the InChIKey of (3R)-3-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-phenylpropanoic acid?
The InChIKey is OWENOXPPBQMYBG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24O4/c1-12-13(2)20(24-5)18(14(3)19(12)23-4)16(11-17(21)22)15-9-7-6-8-10-15/h6-10,16H,11H2,1-5H3,(H,21,22)/t16-/m1/s1.
What are the key properties of (3R)-3-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-phenylpropanoic acid?
(3R)-3-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-phenylpropanoic acid has a molecular weight of 328.41 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3-phenylpropanoic acid is sourced from PubChem (CID 11359377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).