2-(cyclohexylmethyl)-2-hydroxy-4-(2-methoxyphenyl)-4-methylpentanoic acid

C20H30O4 — CID 22284904

IUPAC2-(cyclohexylmethyl)-2-hydroxy-4-(2-methoxyphenyl)-4-methylpentanoic acid
SMILESCOc1ccccc1C(C)(C)CC(O)(CC1CCCCC1)C(=O)O
InChIInChI=1S/C20H30O4/c1-19(2,16-11-7-8-12-17(16)24-3)14-20(23,18(21)22)13-15-9-5-4-6-10-15/h7-8,11-12,15,23H,4-6,9-10,13-14H2,1-3H3,(H,21,22)
InChIKeyAVGNOKXJUPFOTJ-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.15
Rot. Bonds7

About 2-(cyclohexylmethyl)-2-hydroxy-4-(2-methoxyphenyl)-4-methylpentanoic acid

2-(cyclohexylmethyl)-2-hydroxy-4-(2-methoxyphenyl)-4-methylpentanoic acid (PubChem CID 22284904) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-2-hydroxy-4-(2-methoxyphenyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-2-hydroxy-4-(2-methoxyphenyl)-4-methylpentanoic acid
PubChem CID22284904
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name2-(cyclohexylmethyl)-2-hydroxy-4-(2-methoxyphenyl)-4-methylpentanoic acid
SMILESCOc1ccccc1C(C)(C)CC(O)(CC1CCCCC1)C(=O)O
InChIInChI=1S/C20H30O4/c1-19(2,16-11-7-8-12-17(16)24-3)14-20(23,18(21)22)13-15-9-5-4-6-10-15/h7-8,11-12,15,23H,4-6,9-10,13-14H2,1-3H3,(H,21,22)
InChIKeyAVGNOKXJUPFOTJ-UHFFFAOYSA-N
XLogP4.15
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylmethyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide
CID 10216611
2-(cyclopentylmethyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanoic acid
CID 22284930
methyl 2-(cyclohexylamino)-2-(2-methoxyphenyl)propanoate
CID 60997593
2-(2-methoxyphenyl)-1-(oxan-4-yl)propan-2-ol
CID 65144771
ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate
CID 60997682
2-amino-3-hydroxy-2-(2-methoxyphenyl)propanoic acid
CID 22456431
1-cycloheptyl-1-(2-methoxyphenyl)ethanamine
CID 82932355
4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2-[2-(4-methoxyphenyl)ethyl]-4-methylpentanoic acid
CID 22284900
2-[(3,5-dimethylphenyl)methyl]-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentanoic acid
CID 22284927
N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115191491
2-(cyclohexylmethyl)-4-methyl-4-phenylpentane-1,2-diol
CID 69420884
3-(azepan-1-yl)-3-(2-methoxyphenyl)butanoic acid
CID 64527131

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-2-hydroxy-4-(2-methoxyphenyl)-4-methylpentanoic acid?
The IUPAC name of 2-(cyclohexylmethyl)-2-hydroxy-4-(2-methoxyphenyl)-4-methylpentanoic acid (CID 22284904) is 2-(cyclohexylmethyl)-2-hydroxy-4-(2-methoxyphenyl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(cyclohexylmethyl)-2-hydroxy-4-(2-methoxyphenyl)-4-methylpentanoic acid?
The canonical SMILES for 2-(cyclohexylmethyl)-2-hydroxy-4-(2-methoxyphenyl)-4-methylpentanoic acid is COc1ccccc1C(C)(C)CC(O)(CC1CCCCC1)C(=O)O.
What is the InChIKey of 2-(cyclohexylmethyl)-2-hydroxy-4-(2-methoxyphenyl)-4-methylpentanoic acid?
The InChIKey is AVGNOKXJUPFOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4/c1-19(2,16-11-7-8-12-17(16)24-3)14-20(23,18(21)22)13-15-9-5-4-6-10-15/h7-8,11-12,15,23H,4-6,9-10,13-14H2,1-3H3,(H,21,22).
What are the key properties of 2-(cyclohexylmethyl)-2-hydroxy-4-(2-methoxyphenyl)-4-methylpentanoic acid?
2-(cyclohexylmethyl)-2-hydroxy-4-(2-methoxyphenyl)-4-methylpentanoic acid has a molecular weight of 334.46 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-2-hydroxy-4-(2-methoxyphenyl)-4-methylpentanoic acid is sourced from PubChem (CID 22284904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).