4-hydroxy-2-[[4-methoxy-3-(2-methylbutan-2-yl)phenyl]methyl]butanoic acid

C17H26O4 — CID 21199217

IUPAC4-hydroxy-2-[[4-methoxy-3-(2-methylbutan-2-yl)phenyl]methyl]butanoic acid
SMILESCCC(C)(C)c1cc(CC(CCO)C(=O)O)ccc1OC
InChIInChI=1S/C17H26O4/c1-5-17(2,3)14-11-12(6-7-15(14)21-4)10-13(8-9-18)16(19)20/h6-7,11,13,18H,5,8-10H2,1-4H3,(H,19,20)
InChIKeyKLQCZZDOIYTJLF-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.01
Rot. Bonds8

About 4-hydroxy-2-[[4-methoxy-3-(2-methylbutan-2-yl)phenyl]methyl]butanoic acid

4-hydroxy-2-[[4-methoxy-3-(2-methylbutan-2-yl)phenyl]methyl]butanoic acid (PubChem CID 21199217) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-hydroxy-2-[[4-methoxy-3-(2-methylbutan-2-yl)phenyl]methyl]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[[4-methoxy-3-(2-methylbutan-2-yl)phenyl]methyl]butanoic acid
PubChem CID21199217
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name4-hydroxy-2-[[4-methoxy-3-(2-methylbutan-2-yl)phenyl]methyl]butanoic acid
SMILESCCC(C)(C)c1cc(CC(CCO)C(=O)O)ccc1OC
InChIInChI=1S/C17H26O4/c1-5-17(2,3)14-11-12(6-7-15(14)21-4)10-13(8-9-18)16(19)20/h6-7,11,13,18H,5,8-10H2,1-4H3,(H,19,20)
InChIKeyKLQCZZDOIYTJLF-UHFFFAOYSA-N
XLogP3.01
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-tert-butyl-4-methoxyphenyl)methyl]butanoic acid
CID 116930605
2-[(3-amino-4-methoxyphenyl)methyl]pentanoic acid
CID 142143859
2,7-bis[(4-hydroxy-3-methoxyphenyl)methyl]octanedioic acid
CID 122512055
4-hydroxy-2-[(2-methoxyphenyl)methyl]butanoic acid
CID 79419076
2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoic acid
CID 21120243
(2S,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 58000802
(2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 10693323
2-(aminomethyl)-3-(4-methoxy-3-methylphenyl)propanoic acid
CID 62133714
2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide
CID 116850832
2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanoic acid
CID 61130269
2-[(3-tert-butyl-4-hydroxyphenyl)methyl]icosanoic acid
CID 87131617
2-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid
CID 79418299

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[[4-methoxy-3-(2-methylbutan-2-yl)phenyl]methyl]butanoic acid?
The IUPAC name of 4-hydroxy-2-[[4-methoxy-3-(2-methylbutan-2-yl)phenyl]methyl]butanoic acid (CID 21199217) is 4-hydroxy-2-[[4-methoxy-3-(2-methylbutan-2-yl)phenyl]methyl]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[[4-methoxy-3-(2-methylbutan-2-yl)phenyl]methyl]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[[4-methoxy-3-(2-methylbutan-2-yl)phenyl]methyl]butanoic acid is CCC(C)(C)c1cc(CC(CCO)C(=O)O)ccc1OC.
What is the InChIKey of 4-hydroxy-2-[[4-methoxy-3-(2-methylbutan-2-yl)phenyl]methyl]butanoic acid?
The InChIKey is KLQCZZDOIYTJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-5-17(2,3)14-11-12(6-7-15(14)21-4)10-13(8-9-18)16(19)20/h6-7,11,13,18H,5,8-10H2,1-4H3,(H,19,20).
What are the key properties of 4-hydroxy-2-[[4-methoxy-3-(2-methylbutan-2-yl)phenyl]methyl]butanoic acid?
4-hydroxy-2-[[4-methoxy-3-(2-methylbutan-2-yl)phenyl]methyl]butanoic acid has a molecular weight of 294.39 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[[4-methoxy-3-(2-methylbutan-2-yl)phenyl]methyl]butanoic acid is sourced from PubChem (CID 21199217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).