2-hydroxy-2-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid

C14H20O4 — CID 117383995

IUPAC2-hydroxy-2-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
SMILESCCC(C)(C)c1ccc(OC)c(C(O)C(=O)O)c1
InChIInChI=1S/C14H20O4/c1-5-14(2,3)9-6-7-11(18-4)10(8-9)12(15)13(16)17/h6-8,12,15H,5H2,1-4H3,(H,16,17)
InChIKeyJKYKBUZYLDHDMJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.50
Rot. Bonds5

About 2-hydroxy-2-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid

2-hydroxy-2-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid (PubChem CID 117383995) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-hydroxy-2-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
PubChem CID117383995
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-hydroxy-2-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
SMILESCCC(C)(C)c1ccc(OC)c(C(O)C(=O)O)c1
InChIInChI=1S/C14H20O4/c1-5-14(2,3)9-6-7-11(18-4)10(8-9)12(15)13(16)17/h6-8,12,15H,5H2,1-4H3,(H,16,17)
InChIKeyJKYKBUZYLDHDMJ-UHFFFAOYSA-N
XLogP2.50
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-tert-butyl-2-methoxyphenyl)-1-hydroxybutan-2-one
CID 116835810
2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid
CID 3935984
2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid
CID 3582246
2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid
CID 71089254
1-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117410551
2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
CID 4992587
[2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate
CID 138660138
2-[5-(2-chloropropanoyl)-2-methoxyphenyl]-2-hydroxyacetic acid
CID 135740936
3-amino-2-[5-(2-fluoropropan-2-yl)-2-methoxyphenyl]propanoic acid
CID 117391026
2-[3-(difluoromethyl)-4-methoxyphenyl]butan-2-amine
CID 165350561
3-amino-2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid
CID 117381731
1-(5-tert-butyl-2-methoxyphenyl)-2-(methylamino)butan-1-ol
CID 82315534

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid (CID 117383995) is 2-hydroxy-2-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid is CCC(C)(C)c1ccc(OC)c(C(O)C(=O)O)c1.
What is the InChIKey of 2-hydroxy-2-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid?
The InChIKey is JKYKBUZYLDHDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-5-14(2,3)9-6-7-11(18-4)10(8-9)12(15)13(16)17/h6-8,12,15H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-hydroxy-2-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid?
2-hydroxy-2-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid has a molecular weight of 252.31 g/mol, XLogP of 2.50, 5 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-(2-methylbutan-2-yl)phenyl]acetic acid is sourced from PubChem (CID 117383995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).