2-hydroxy-2-(2-methoxy-5-propan-2-ylphenyl)propanoic acid

C13H18O4 — CID 82117037

IUPAC2-hydroxy-2-(2-methoxy-5-propan-2-ylphenyl)propanoic acid
SMILESCOc1ccc(C(C)C)cc1C(C)(O)C(=O)O
InChIInChI=1S/C13H18O4/c1-8(2)9-5-6-11(17-4)10(7-9)13(3,16)12(14)15/h5-8,16H,1-4H3,(H,14,15)
InChIKeyCUKVNWWEOMYOMT-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.11
Rot. Bonds4

About 2-hydroxy-2-(2-methoxy-5-propan-2-ylphenyl)propanoic acid

2-hydroxy-2-(2-methoxy-5-propan-2-ylphenyl)propanoic acid (PubChem CID 82117037) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-hydroxy-2-(2-methoxy-5-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-(2-methoxy-5-propan-2-ylphenyl)propanoic acid
PubChem CID82117037
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-hydroxy-2-(2-methoxy-5-propan-2-ylphenyl)propanoic acid
SMILESCOc1ccc(C(C)C)cc1C(C)(O)C(=O)O
InChIInChI=1S/C13H18O4/c1-8(2)9-5-6-11(17-4)10(7-9)13(3,16)12(14)15/h5-8,16H,1-4H3,(H,14,15)
InChIKeyCUKVNWWEOMYOMT-UHFFFAOYSA-N
XLogP2.11
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 22952870
N-[2-(2-methoxy-5-propan-2-ylphenyl)-2-methylpropyl]acetamide
CID 115191415
2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine
CID 82291393
2-(1-bromo-2-methylpropan-2-yl)-1-methoxy-4-propan-2-ylbenzene
CID 82094101
2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine
CID 23198486
3-(2-methoxy-4-propan-2-ylanilino)-2,2-dimethylpropanoic acid
CID 115136415
2-hydroxy-2-(4-propan-2-ylphenyl)propanoic acid
CID 19855513
3-[5-(1-fluoroethyl)-2-methoxyphenyl]-3-methylbutanoic acid
CID 117389154
2-iodo-1-methoxy-4-propan-2-ylbenzene
CID 90221993
2-tert-butyl-4-propan-2-ylbenzoic acid
CID 70422407
3,3-difluoro-3-(2-methoxy-4-propan-2-ylphenyl)propanoic acid
CID 116838378
methyl 3-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoate
CID 116927536

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-methoxy-5-propan-2-ylphenyl)propanoic acid?
The IUPAC name of 2-hydroxy-2-(2-methoxy-5-propan-2-ylphenyl)propanoic acid (CID 82117037) is 2-hydroxy-2-(2-methoxy-5-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-(2-methoxy-5-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for 2-hydroxy-2-(2-methoxy-5-propan-2-ylphenyl)propanoic acid is COc1ccc(C(C)C)cc1C(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-(2-methoxy-5-propan-2-ylphenyl)propanoic acid?
The InChIKey is CUKVNWWEOMYOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-8(2)9-5-6-11(17-4)10(7-9)13(3,16)12(14)15/h5-8,16H,1-4H3,(H,14,15).
What are the key properties of 2-hydroxy-2-(2-methoxy-5-propan-2-ylphenyl)propanoic acid?
2-hydroxy-2-(2-methoxy-5-propan-2-ylphenyl)propanoic acid has a molecular weight of 238.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-methoxy-5-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 82117037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).