2-hydroxy-2-[1-(2-methoxyphenyl)propan-2-yl]pentanoic acid

C15H22O4 — CID 83051163

IUPAC2-hydroxy-2-[1-(2-methoxyphenyl)propan-2-yl]pentanoic acid
SMILESCCCC(O)(C(=O)O)C(C)Cc1ccccc1OC
InChIInChI=1S/C15H22O4/c1-4-9-15(18,14(16)17)11(2)10-12-7-5-6-8-13(12)19-3/h5-8,11,18H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyLXVIPCDLGIUPBT-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.49
Rot. Bonds7

About 2-hydroxy-2-[1-(2-methoxyphenyl)propan-2-yl]pentanoic acid

2-hydroxy-2-[1-(2-methoxyphenyl)propan-2-yl]pentanoic acid (PubChem CID 83051163) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-hydroxy-2-[1-(2-methoxyphenyl)propan-2-yl]pentanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-[1-(2-methoxyphenyl)propan-2-yl]pentanoic acid
PubChem CID83051163
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-hydroxy-2-[1-(2-methoxyphenyl)propan-2-yl]pentanoic acid
SMILESCCCC(O)(C(=O)O)C(C)Cc1ccccc1OC
InChIInChI=1S/C15H22O4/c1-4-9-15(18,14(16)17)11(2)10-12-7-5-6-8-13(12)19-3/h5-8,11,18H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyLXVIPCDLGIUPBT-UHFFFAOYSA-N
XLogP2.49
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate
CID 79298689
2-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-hydroxypentanoic acid
CID 83052448
ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate
CID 79308120
2-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-hydroxypentanoic acid
CID 113389405
4-hydroxy-2-[(2-methoxyphenyl)methyl]-4-methylhexanoic acid
CID 114495157
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethylpentanamide
CID 65487447
2-ethyl-2-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]butanoic acid
CID 122128674
ethyl (2R,3S)-3-amino-4-(2-methoxyphenyl)-2-methylbutanoate
CID 124526085
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
CID 43618494
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
[(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium
CID 7432380

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[1-(2-methoxyphenyl)propan-2-yl]pentanoic acid?
The IUPAC name of 2-hydroxy-2-[1-(2-methoxyphenyl)propan-2-yl]pentanoic acid (CID 83051163) is 2-hydroxy-2-[1-(2-methoxyphenyl)propan-2-yl]pentanoic acid.
What is the SMILES notation for 2-hydroxy-2-[1-(2-methoxyphenyl)propan-2-yl]pentanoic acid?
The canonical SMILES for 2-hydroxy-2-[1-(2-methoxyphenyl)propan-2-yl]pentanoic acid is CCCC(O)(C(=O)O)C(C)Cc1ccccc1OC.
What is the InChIKey of 2-hydroxy-2-[1-(2-methoxyphenyl)propan-2-yl]pentanoic acid?
The InChIKey is LXVIPCDLGIUPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-9-15(18,14(16)17)11(2)10-12-7-5-6-8-13(12)19-3/h5-8,11,18H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-hydroxy-2-[1-(2-methoxyphenyl)propan-2-yl]pentanoic acid?
2-hydroxy-2-[1-(2-methoxyphenyl)propan-2-yl]pentanoic acid has a molecular weight of 266.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[1-(2-methoxyphenyl)propan-2-yl]pentanoic acid is sourced from PubChem (CID 83051163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).