2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

C20H24O4 — CID 83953446

IUPAC2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
SMILESCOc1ccccc1C(Cc1ccc(OC(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C20H24O4/c1-20(2,3)24-15-11-9-14(10-12-15)13-17(19(21)22)16-7-5-6-8-18(16)23-4/h5-12,17H,13H2,1-4H3,(H,21,22)
InChIKeyKGMOZCQDLMVTHR-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.28
Rot. Bonds6

About 2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid (PubChem CID 83953446) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
PubChem CID83953446
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
SMILESCOc1ccccc1C(Cc1ccc(OC(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C20H24O4/c1-20(2,3)24-15-11-9-14(10-12-15)13-17(19(21)22)16-7-5-6-8-18(16)23-4/h5-12,17H,13H2,1-4H3,(H,21,22)
InChIKeyKGMOZCQDLMVTHR-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82095196
3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82094741
(2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid
CID 42051191
3-(3-hydroxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83950546
3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83955199
2-(2,5-dimethylphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 83953444
2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid
CID 79439722
2-(3-ethoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 83953456
3-(4-tert-butylphenyl)-2-(5-chloro-2-methoxyphenyl)propanoic acid
CID 112721022
2-(methoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 174445019
3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244439
3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83954492

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid?
The IUPAC name of 2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid (CID 83953446) is 2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid?
The canonical SMILES for 2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid is COc1ccccc1C(Cc1ccc(OC(C)(C)C)cc1)C(=O)O.
What is the InChIKey of 2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid?
The InChIKey is KGMOZCQDLMVTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-20(2,3)24-15-11-9-14(10-12-15)13-17(19(21)22)16-7-5-6-8-18(16)23-4/h5-12,17H,13H2,1-4H3,(H,21,22).
What are the key properties of 2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid?
2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid has a molecular weight of 328.41 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid is sourced from PubChem (CID 83953446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).