2-hydroxy-3-(4-methoxyphenyl)-2,3-dimethylhexanoic acid

C15H22O4 — CID 69226482

IUPAC2-hydroxy-3-(4-methoxyphenyl)-2,3-dimethylhexanoic acid
SMILESCCCC(C)(c1ccc(OC)cc1)C(C)(O)C(=O)O
InChIInChI=1S/C15H22O4/c1-5-10-14(2,15(3,18)13(16)17)11-6-8-12(19-4)9-7-11/h6-9,18H,5,10H2,1-4H3,(H,16,17)
InChIKeyTXEWUYMASSOBHJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.59
Rot. Bonds6

About 2-hydroxy-3-(4-methoxyphenyl)-2,3-dimethylhexanoic acid

2-hydroxy-3-(4-methoxyphenyl)-2,3-dimethylhexanoic acid (PubChem CID 69226482) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-hydroxy-3-(4-methoxyphenyl)-2,3-dimethylhexanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(4-methoxyphenyl)-2,3-dimethylhexanoic acid
PubChem CID69226482
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-hydroxy-3-(4-methoxyphenyl)-2,3-dimethylhexanoic acid
SMILESCCCC(C)(c1ccc(OC)cc1)C(C)(O)C(=O)O
InChIInChI=1S/C15H22O4/c1-5-10-14(2,15(3,18)13(16)17)11-6-8-12(19-4)9-7-11/h6-9,18H,5,10H2,1-4H3,(H,16,17)
InChIKeyTXEWUYMASSOBHJ-UHFFFAOYSA-N
XLogP2.59
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(4-methoxyphenyl)-4-methylheptan-3-one
CID 139795849
2-(4-methoxyphenyl)-2-(propylamino)propanoic acid
CID 43754043
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619594
2-(4-methoxyphenyl)pentan-2-amine
CID 43810210
2-fluoro-3-hydroxy-2-(4-methoxyphenyl)propanoic acid
CID 178069043
[4-[4-(4-methoxybenzoyl)phenoxy]phenyl]-[4-(2-methylpentan-2-yl)phenyl]methanone
CID 144556494
5-(4-methoxyphenyl)nonan-5-ol
CID 15695648
2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid
CID 43619666
2-(6-methoxynaphthalen-2-yl)hexan-2-ol
CID 71294239
(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)propanoic acid
CID 93297247
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(4-methoxyphenyl)-2,3-dimethylhexanoic acid?
The IUPAC name of 2-hydroxy-3-(4-methoxyphenyl)-2,3-dimethylhexanoic acid (CID 69226482) is 2-hydroxy-3-(4-methoxyphenyl)-2,3-dimethylhexanoic acid.
What is the SMILES notation for 2-hydroxy-3-(4-methoxyphenyl)-2,3-dimethylhexanoic acid?
The canonical SMILES for 2-hydroxy-3-(4-methoxyphenyl)-2,3-dimethylhexanoic acid is CCCC(C)(c1ccc(OC)cc1)C(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-(4-methoxyphenyl)-2,3-dimethylhexanoic acid?
The InChIKey is TXEWUYMASSOBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-10-14(2,15(3,18)13(16)17)11-6-8-12(19-4)9-7-11/h6-9,18H,5,10H2,1-4H3,(H,16,17).
What are the key properties of 2-hydroxy-3-(4-methoxyphenyl)-2,3-dimethylhexanoic acid?
2-hydroxy-3-(4-methoxyphenyl)-2,3-dimethylhexanoic acid has a molecular weight of 266.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(4-methoxyphenyl)-2,3-dimethylhexanoic acid is sourced from PubChem (CID 69226482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).