2-[3,5-dimethyl-4-[[2-(2-methylpropyl)-4-pyridinyl]methyl]phenoxy]acetic acid

C20H25NO3 — CID 25105129

IUPAC2-[3,5-dimethyl-4-[[2-(2-methylpropyl)-4-pyridinyl]methyl]phenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)cc(C)c1Cc1ccnc(CC(C)C)c1
InChIInChI=1S/C20H25NO3/c1-13(2)7-17-10-16(5-6-21-17)11-19-14(3)8-18(9-15(19)4)24-12-20(22)23/h5-6,8-10,13H,7,11-12H2,1-4H3,(H,22,23)
InChIKeyRLDNJGXDBRJWLP-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.95
Rot. Bonds7

About 2-[3,5-dimethyl-4-[[2-(2-methylpropyl)-4-pyridinyl]methyl]phenoxy]acetic acid

2-[3,5-dimethyl-4-[[2-(2-methylpropyl)-4-pyridinyl]methyl]phenoxy]acetic acid (PubChem CID 25105129) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[[2-(2-methylpropyl)-4-pyridinyl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[[2-(2-methylpropyl)-4-pyridinyl]methyl]phenoxy]acetic acid
PubChem CID25105129
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-[3,5-dimethyl-4-[[2-(2-methylpropyl)-4-pyridinyl]methyl]phenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)cc(C)c1Cc1ccnc(CC(C)C)c1
InChIInChI=1S/C20H25NO3/c1-13(2)7-17-10-16(5-6-21-17)11-19-14(3)8-18(9-15(19)4)24-12-20(22)23/h5-6,8-10,13H,7,11-12H2,1-4H3,(H,22,23)
InChIKeyRLDNJGXDBRJWLP-UHFFFAOYSA-N
XLogP3.95
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]acetic acid
CID 162661242
1-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]butan-2-one
CID 159245963
1-amino-3-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]propan-2-one
CID 159565620
N-ethyl-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
CID 134249644
1-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-5-phenylpentan-2-one
CID 159161743
(2S)-2-amino-3-[4-[2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetyl]oxyphenyl]propanoic acid
CID 122498824
propyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate
CID 122498822
2-[4-[[4-hydroxy-3-[2-(4-pentylphenyl)ethynyl]-5-propan-2-ylphenyl]methyl]-3,5-dimethylphenoxy]acetic acid
CID 10413582
5-amino-1-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]pentan-2-one acetate
CID 157479704
(2S)-2-amino-3-[4-[2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetyl]oxyphenyl]propanoic acid;hydrochloride
CID 162651838
2-(4-cyano-3,5-dimethylphenoxy)acetic acid
CID 141147610
2-[3-methyl-4-(3-methylbutanoylamino)phenoxy]acetic acid
CID 119231825

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[[2-(2-methylpropyl)-4-pyridinyl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3,5-dimethyl-4-[[2-(2-methylpropyl)-4-pyridinyl]methyl]phenoxy]acetic acid (CID 25105129) is 2-[3,5-dimethyl-4-[[2-(2-methylpropyl)-4-pyridinyl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3,5-dimethyl-4-[[2-(2-methylpropyl)-4-pyridinyl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3,5-dimethyl-4-[[2-(2-methylpropyl)-4-pyridinyl]methyl]phenoxy]acetic acid is Cc1cc(OCC(=O)O)cc(C)c1Cc1ccnc(CC(C)C)c1.
What is the InChIKey of 2-[3,5-dimethyl-4-[[2-(2-methylpropyl)-4-pyridinyl]methyl]phenoxy]acetic acid?
The InChIKey is RLDNJGXDBRJWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-13(2)7-17-10-16(5-6-21-17)11-19-14(3)8-18(9-15(19)4)24-12-20(22)23/h5-6,8-10,13H,7,11-12H2,1-4H3,(H,22,23).
What are the key properties of 2-[3,5-dimethyl-4-[[2-(2-methylpropyl)-4-pyridinyl]methyl]phenoxy]acetic acid?
2-[3,5-dimethyl-4-[[2-(2-methylpropyl)-4-pyridinyl]methyl]phenoxy]acetic acid has a molecular weight of 327.42 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[[2-(2-methylpropyl)-4-pyridinyl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 25105129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).