4-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methylpentanoic acid

C14H20O4 — CID 79418575

IUPAC4-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methylpentanoic acid
SMILESCOc1cccc(CC(CC(C)(C)O)C(=O)O)c1
InChIInChI=1S/C14H20O4/c1-14(2,17)9-11(13(15)16)7-10-5-4-6-12(8-10)18-3/h4-6,8,11,17H,7,9H2,1-3H3,(H,15,16)
InChIKeyXZUQXBNBOBRUND-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.10
Rot. Bonds6

About 4-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methylpentanoic acid

4-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methylpentanoic acid (PubChem CID 79418575) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methylpentanoic acid
PubChem CID79418575
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name4-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methylpentanoic acid
SMILESCOc1cccc(CC(CC(C)(C)O)C(=O)O)c1
InChIInChI=1S/C14H20O4/c1-14(2,17)9-11(13(15)16)7-10-5-4-6-12(8-10)18-3/h4-6,8,11,17H,7,9H2,1-3H3,(H,15,16)
InChIKeyXZUQXBNBOBRUND-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-2-[(3-methoxyphenyl)methyl]butanoic acid
CID 60793375
2-[(3-bromophenyl)methyl]-3-(3-methoxyphenyl)propanoic acid
CID 60793228
(2S)-2-[(3-methoxyphenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 25417738
2-[(3-methoxyphenyl)methyl]-4-methylpent-4-enoic acid
CID 79419135
2-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanoic acid
CID 112513556
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
(E)-5-chloro-2-[(3-methoxyphenyl)methyl]-4-methylpent-4-enoic acid
CID 114188864
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propanoic acid
CID 63000304
2-[(2-bromophenyl)methyl]-3-(3-methoxyphenyl)propanoic acid
CID 60793232
2-[(5-ethylthiophen-2-yl)methyl]-3-(3-methoxyphenyl)propanoic acid
CID 60793231
4-hydroxy-2-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypentanoic acid
CID 79422074
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methylpentanoic acid?
The IUPAC name of 4-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methylpentanoic acid (CID 79418575) is 4-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methylpentanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methylpentanoic acid?
The canonical SMILES for 4-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methylpentanoic acid is COc1cccc(CC(CC(C)(C)O)C(=O)O)c1.
What is the InChIKey of 4-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methylpentanoic acid?
The InChIKey is XZUQXBNBOBRUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-14(2,17)9-11(13(15)16)7-10-5-4-6-12(8-10)18-3/h4-6,8,11,17H,7,9H2,1-3H3,(H,15,16).
What are the key properties of 4-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methylpentanoic acid?
4-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methylpentanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methylpentanoic acid is sourced from PubChem (CID 79418575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).