4-hydroxy-4-(4-methoxyphenyl)butanoic acid

C11H14O4 — CID 4193826

IUPAC4-hydroxy-4-(4-methoxyphenyl)butanoic acid
SMILESCOc1ccc(C(O)CCC(=O)O)cc1
InChIInChI=1S/C11H14O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-5,10,12H,6-7H2,1H3,(H,13,14)
InChIKeySRVHFMOPFVVMSB-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.59
Rot. Bonds5

About 4-hydroxy-4-(4-methoxyphenyl)butanoic acid

4-hydroxy-4-(4-methoxyphenyl)butanoic acid (PubChem CID 4193826) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-hydroxy-4-(4-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-hydroxy-4-(4-methoxyphenyl)butanoic acid
PubChem CID4193826
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name4-hydroxy-4-(4-methoxyphenyl)butanoic acid
SMILESCOc1ccc(C(O)CCC(=O)O)cc1
InChIInChI=1S/C11H14O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-5,10,12H,6-7H2,1H3,(H,13,14)
InChIKeySRVHFMOPFVVMSB-UHFFFAOYSA-N
XLogP1.59
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-hydroxy-4-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 54272554
4-amino-4-(4-methoxyphenyl)butanoic acid;hydrochloride
CID 71757574
4-hydroxy-4-(4-phenoxyphenyl)butanoic acid
CID 43209399
1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol
CID 114473769
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid
CID 6493924
4-(6-methoxynaphthalen-2-yl)pentanoic acid
CID 113306207
4-hydroxy-4-(4-methoxyphenyl)-2-oxobutanoic acid
CID 102408394
4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid
CID 43561615
(1S)-1-(4-methoxyphenyl)pentane-1,5-diol
CID 92859928
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(4-methoxyphenyl)butanoic acid?
The IUPAC name of 4-hydroxy-4-(4-methoxyphenyl)butanoic acid (CID 4193826) is 4-hydroxy-4-(4-methoxyphenyl)butanoic acid.
What is the SMILES notation for 4-hydroxy-4-(4-methoxyphenyl)butanoic acid?
The canonical SMILES for 4-hydroxy-4-(4-methoxyphenyl)butanoic acid is COc1ccc(C(O)CCC(=O)O)cc1.
What is the InChIKey of 4-hydroxy-4-(4-methoxyphenyl)butanoic acid?
The InChIKey is SRVHFMOPFVVMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-5,10,12H,6-7H2,1H3,(H,13,14).
What are the key properties of 4-hydroxy-4-(4-methoxyphenyl)butanoic acid?
4-hydroxy-4-(4-methoxyphenyl)butanoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(4-methoxyphenyl)butanoic acid is sourced from PubChem (CID 4193826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).