4-hydroxy-2-[(2-methoxyphenyl)methyl]-4-methylhexanoic acid

C15H22O4 — CID 114495157

IUPAC4-hydroxy-2-[(2-methoxyphenyl)methyl]-4-methylhexanoic acid
SMILESCCC(C)(O)CC(Cc1ccccc1OC)C(=O)O
InChIInChI=1S/C15H22O4/c1-4-15(2,18)10-12(14(16)17)9-11-7-5-6-8-13(11)19-3/h5-8,12,18H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyGWZQHZNKMZYKLN-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.49
Rot. Bonds7

About 4-hydroxy-2-[(2-methoxyphenyl)methyl]-4-methylhexanoic acid

4-hydroxy-2-[(2-methoxyphenyl)methyl]-4-methylhexanoic acid (PubChem CID 114495157) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-hydroxy-2-[(2-methoxyphenyl)methyl]-4-methylhexanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(2-methoxyphenyl)methyl]-4-methylhexanoic acid
PubChem CID114495157
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name4-hydroxy-2-[(2-methoxyphenyl)methyl]-4-methylhexanoic acid
SMILESCCC(C)(O)CC(Cc1ccccc1OC)C(=O)O
InChIInChI=1S/C15H22O4/c1-4-15(2,18)10-12(14(16)17)9-11-7-5-6-8-13(11)19-3/h5-8,12,18H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyGWZQHZNKMZYKLN-UHFFFAOYSA-N
XLogP2.49
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-[(2-methoxyphenyl)methyl]-5-methylhexanoic acid
CID 103034779
4-hydroxy-2-[(2-methoxyphenyl)methyl]butanoic acid
CID 79419076
2-[(2-methoxyphenyl)methyl]-4-phenylbutanoic acid
CID 79422266
ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate
CID 79308120
2-hydroxy-2-[1-(2-methoxyphenyl)propan-2-yl]pentanoic acid
CID 83051163
ethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate
CID 79298689
2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60794367
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
2-[(2-fluoro-3-methoxyphenyl)methyl]butanoic acid
CID 104792787
2-[(3-chlorophenyl)methyl]-4-hydroxy-4-methylhexanoic acid
CID 114495142
2-amino-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
CID 65486323
1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol
CID 63018076

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(2-methoxyphenyl)methyl]-4-methylhexanoic acid?
The IUPAC name of 4-hydroxy-2-[(2-methoxyphenyl)methyl]-4-methylhexanoic acid (CID 114495157) is 4-hydroxy-2-[(2-methoxyphenyl)methyl]-4-methylhexanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(2-methoxyphenyl)methyl]-4-methylhexanoic acid?
The canonical SMILES for 4-hydroxy-2-[(2-methoxyphenyl)methyl]-4-methylhexanoic acid is CCC(C)(O)CC(Cc1ccccc1OC)C(=O)O.
What is the InChIKey of 4-hydroxy-2-[(2-methoxyphenyl)methyl]-4-methylhexanoic acid?
The InChIKey is GWZQHZNKMZYKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-15(2,18)10-12(14(16)17)9-11-7-5-6-8-13(11)19-3/h5-8,12,18H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of 4-hydroxy-2-[(2-methoxyphenyl)methyl]-4-methylhexanoic acid?
4-hydroxy-2-[(2-methoxyphenyl)methyl]-4-methylhexanoic acid has a molecular weight of 266.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(2-methoxyphenyl)methyl]-4-methylhexanoic acid is sourced from PubChem (CID 114495157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).