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

C22H28O4 — CID 150251513

IUPAC2-hydroxy-2-[3-(4-methoxyphenyl)propyl]-4-methyl-4-phenylpentanoic acid
SMILESCOc1ccc(CCCC(O)(CC(C)(C)c2ccccc2)C(=O)O)cc1
InChIInChI=1S/C22H28O4/c1-21(2,18-9-5-4-6-10-18)16-22(25,20(23)24)15-7-8-17-11-13-19(26-3)14-12-17/h4-6,9-14,25H,7-8,15-16H2,1-3H3,(H,23,24)
InChIKeyFZQRTCUWHMIUCM-UHFFFAOYSA-N
MW356.46 g/mol
LogP4.20
Rot. Bonds9

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

2-hydroxy-2-[3-(4-methoxyphenyl)propyl]-4-methyl-4-phenylpentanoic acid (PubChem CID 150251513) has the molecular formula C22H28O4 and a molecular weight of 356.46 g/mol. Its IUPAC name is 2-hydroxy-2-[3-(4-methoxyphenyl)propyl]-4-methyl-4-phenylpentanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-[3-(4-methoxyphenyl)propyl]-4-methyl-4-phenylpentanoic acid
PubChem CID150251513
Molecular FormulaC22H28O4
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name2-hydroxy-2-[3-(4-methoxyphenyl)propyl]-4-methyl-4-phenylpentanoic acid
SMILESCOc1ccc(CCCC(O)(CC(C)(C)c2ccccc2)C(=O)O)cc1
InChIInChI=1S/C22H28O4/c1-21(2,18-9-5-4-6-10-18)16-22(25,20(23)24)15-7-8-17-11-13-19(26-3)14-12-17/h4-6,9-14,25H,7-8,15-16H2,1-3H3,(H,23,24)
InChIKeyFZQRTCUWHMIUCM-UHFFFAOYSA-N
XLogP4.20
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethyl-2-hydroxy-5-(4-methoxyphenyl)pentanoic acid
CID 66960054
4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2-[2-(4-methoxyphenyl)ethyl]-4-methylpentanoic acid
CID 22284900
2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-4-phenylpentanoic acid
CID 22284895
7-(4-methoxyphenyl)-2,2-dimethylheptanoic acid
CID 139937428
2-[2-(4-methoxyphenyl)ethyl]-2-(2-phenylethyl)propanedioic acid
CID 122530743
(2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid
CID 70212067
2-hydroxy-2-[2-(4-methoxyphenyl)ethyl]-4-oxopentanoic acid;hydrate
CID 131886062
2-amino-2-(hydroxymethyl)-5-(4-methoxyphenyl)pentanoic acid
CID 58820292
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
(2R)-2-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-6-phenylhexanoic acid
CID 140971437
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
(2S)-2-amino-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 93380969

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-(4-methoxyphenyl)propyl]-4-methyl-4-phenylpentanoic acid?
The IUPAC name of 2-hydroxy-2-[3-(4-methoxyphenyl)propyl]-4-methyl-4-phenylpentanoic acid (CID 150251513) is 2-hydroxy-2-[3-(4-methoxyphenyl)propyl]-4-methyl-4-phenylpentanoic acid.
What is the SMILES notation for 2-hydroxy-2-[3-(4-methoxyphenyl)propyl]-4-methyl-4-phenylpentanoic acid?
The canonical SMILES for 2-hydroxy-2-[3-(4-methoxyphenyl)propyl]-4-methyl-4-phenylpentanoic acid is COc1ccc(CCCC(O)(CC(C)(C)c2ccccc2)C(=O)O)cc1.
What is the InChIKey of 2-hydroxy-2-[3-(4-methoxyphenyl)propyl]-4-methyl-4-phenylpentanoic acid?
The InChIKey is FZQRTCUWHMIUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O4/c1-21(2,18-9-5-4-6-10-18)16-22(25,20(23)24)15-7-8-17-11-13-19(26-3)14-12-17/h4-6,9-14,25H,7-8,15-16H2,1-3H3,(H,23,24).
What are the key properties of 2-hydroxy-2-[3-(4-methoxyphenyl)propyl]-4-methyl-4-phenylpentanoic acid?
2-hydroxy-2-[3-(4-methoxyphenyl)propyl]-4-methyl-4-phenylpentanoic acid has a molecular weight of 356.46 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-(4-methoxyphenyl)propyl]-4-methyl-4-phenylpentanoic acid is sourced from PubChem (CID 150251513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).