2-hydroxy-5-(4-methoxyphenyl)pentanoic acid

C12H16O4 — CID 23157957

IUPAC2-hydroxy-5-(4-methoxyphenyl)pentanoic acid
SMILESCOc1ccc(CCCC(O)C(=O)O)cc1
InChIInChI=1S/C12H16O4/c1-16-10-7-5-9(6-8-10)3-2-4-11(13)12(14)15/h5-8,11,13H,2-4H2,1H3,(H,14,15)
InChIKeyFNLPJNRBORUCRK-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.46
Rot. Bonds6

About 2-hydroxy-5-(4-methoxyphenyl)pentanoic acid

2-hydroxy-5-(4-methoxyphenyl)pentanoic acid (PubChem CID 23157957) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-hydroxy-5-(4-methoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(4-methoxyphenyl)pentanoic acid
PubChem CID23157957
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-hydroxy-5-(4-methoxyphenyl)pentanoic acid
SMILESCOc1ccc(CCCC(O)C(=O)O)cc1
InChIInChI=1S/C12H16O4/c1-16-10-7-5-9(6-8-10)3-2-4-11(13)12(14)15/h5-8,11,13H,2-4H2,1H3,(H,14,15)
InChIKeyFNLPJNRBORUCRK-UHFFFAOYSA-N
XLogP1.46
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-methoxyphenyl)propyl]butanedioic acid
CID 54505508
(2S)-2-hydroxy-5-(4-hydroxyphenyl)pentanoic acid
CID 139906283
5-(4-methoxyphenyl)-2-phenylpentanoic acid
CID 81008725
2-[5-(4-methoxyphenyl)pentyl]octanoic acid
CID 139937458
(2R)-5-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-2-hydroxypentanoic acid
CID 174172216
7-(4-methoxyphenyl)-2-propan-2-ylheptanoic acid
CID 139937457
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate
CID 102317664
2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
CID 119208828
5-(4-methoxyphenyl)pentanamide
CID 134389506

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(4-methoxyphenyl)pentanoic acid?
The IUPAC name of 2-hydroxy-5-(4-methoxyphenyl)pentanoic acid (CID 23157957) is 2-hydroxy-5-(4-methoxyphenyl)pentanoic acid.
What is the SMILES notation for 2-hydroxy-5-(4-methoxyphenyl)pentanoic acid?
The canonical SMILES for 2-hydroxy-5-(4-methoxyphenyl)pentanoic acid is COc1ccc(CCCC(O)C(=O)O)cc1.
What is the InChIKey of 2-hydroxy-5-(4-methoxyphenyl)pentanoic acid?
The InChIKey is FNLPJNRBORUCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-16-10-7-5-9(6-8-10)3-2-4-11(13)12(14)15/h5-8,11,13H,2-4H2,1H3,(H,14,15).
What are the key properties of 2-hydroxy-5-(4-methoxyphenyl)pentanoic acid?
2-hydroxy-5-(4-methoxyphenyl)pentanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(4-methoxyphenyl)pentanoic acid is sourced from PubChem (CID 23157957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).