4-hydroxy-4-[4-(methoxymethyl)phenyl]-2,3-dimethylbutanoic acid

C14H20O4 — CID 79414012

IUPAC4-hydroxy-4-[4-(methoxymethyl)phenyl]-2,3-dimethylbutanoic acid
SMILESCOCc1ccc(C(O)C(C)C(C)C(=O)O)cc1
InChIInChI=1S/C14H20O4/c1-9(10(2)14(16)17)13(15)12-6-4-11(5-7-12)8-18-3/h4-7,9-10,13,15H,8H2,1-3H3,(H,16,17)
InChIKeyHEUXFDWVDAKKPW-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.22
Rot. Bonds6

About 4-hydroxy-4-[4-(methoxymethyl)phenyl]-2,3-dimethylbutanoic acid

4-hydroxy-4-[4-(methoxymethyl)phenyl]-2,3-dimethylbutanoic acid (PubChem CID 79414012) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-hydroxy-4-[4-(methoxymethyl)phenyl]-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name4-hydroxy-4-[4-(methoxymethyl)phenyl]-2,3-dimethylbutanoic acid
PubChem CID79414012
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name4-hydroxy-4-[4-(methoxymethyl)phenyl]-2,3-dimethylbutanoic acid
SMILESCOCc1ccc(C(O)C(C)C(C)C(=O)O)cc1
InChIInChI=1S/C14H20O4/c1-9(10(2)14(16)17)13(15)12-6-4-11(5-7-12)8-18-3/h4-7,9-10,13,15H,8H2,1-3H3,(H,16,17)
InChIKeyHEUXFDWVDAKKPW-UHFFFAOYSA-N
XLogP2.22
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanoic acid
CID 170823892
4-(4-fluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414690
2,3-dihydroxy-3-[4-(methoxymethyl)phenyl]propanenitrile
CID 171870155
4-amino-3-[4-(methoxymethyl)phenyl]butanoic acid
CID 66098947
S-[3,4-dihydroxy-4-[4-(methoxymethyl)phenyl]butyl] ethanethioate
CID 171875809
3-hydroxy-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid
CID 43238754
2-[4-(methoxymethyl)phenyl]propanehydrazide
CID 105351367
(2R,4S)-2,3-dimethyl-4-phenylmethoxypentanoic acid
CID 134864943
3-hydroxy-3-(4-methoxycarbonylphenyl)-2-methylpropanoic acid
CID 70160965
4-amino-4-[4-(methoxymethyl)phenyl]butanoic acid
CID 117319626
4-(3-bromo-4-fluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414114
methyl 4-amino-3-[4-(methoxymethyl)phenyl]pentanoate
CID 66097697

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[4-(methoxymethyl)phenyl]-2,3-dimethylbutanoic acid?
The IUPAC name of 4-hydroxy-4-[4-(methoxymethyl)phenyl]-2,3-dimethylbutanoic acid (CID 79414012) is 4-hydroxy-4-[4-(methoxymethyl)phenyl]-2,3-dimethylbutanoic acid.
What is the SMILES notation for 4-hydroxy-4-[4-(methoxymethyl)phenyl]-2,3-dimethylbutanoic acid?
The canonical SMILES for 4-hydroxy-4-[4-(methoxymethyl)phenyl]-2,3-dimethylbutanoic acid is COCc1ccc(C(O)C(C)C(C)C(=O)O)cc1.
What is the InChIKey of 4-hydroxy-4-[4-(methoxymethyl)phenyl]-2,3-dimethylbutanoic acid?
The InChIKey is HEUXFDWVDAKKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-9(10(2)14(16)17)13(15)12-6-4-11(5-7-12)8-18-3/h4-7,9-10,13,15H,8H2,1-3H3,(H,16,17).
What are the key properties of 4-hydroxy-4-[4-(methoxymethyl)phenyl]-2,3-dimethylbutanoic acid?
4-hydroxy-4-[4-(methoxymethyl)phenyl]-2,3-dimethylbutanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[4-(methoxymethyl)phenyl]-2,3-dimethylbutanoic acid is sourced from PubChem (CID 79414012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).