2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-4-phenylpentanoic acid

C23H24O3 — CID 22284895

IUPAC2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-4-phenylpentanoic acid
SMILESCC(C)(CC(O)(Cc1ccc2ccccc2c1)C(=O)O)c1ccccc1
InChIInChI=1S/C23H24O3/c1-22(2,20-10-4-3-5-11-20)16-23(26,21(24)25)15-17-12-13-18-8-6-7-9-19(18)14-17/h3-14,26H,15-16H2,1-2H3,(H,24,25)
InChIKeyYXSUMQPXXIZDRU-UHFFFAOYSA-N
MW348.44 g/mol
LogP4.57
Rot. Bonds6

About 2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-4-phenylpentanoic acid

2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-4-phenylpentanoic acid (PubChem CID 22284895) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-4-phenylpentanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-4-phenylpentanoic acid
PubChem CID22284895
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-4-phenylpentanoic acid
SMILESCC(C)(CC(O)(Cc1ccc2ccccc2c1)C(=O)O)c1ccccc1
InChIInChI=1S/C23H24O3/c1-22(2,20-10-4-3-5-11-20)16-23(26,21(24)25)15-17-12-13-18-8-6-7-9-19(18)14-17/h3-14,26H,15-16H2,1-2H3,(H,24,25)
InChIKeyYXSUMQPXXIZDRU-UHFFFAOYSA-N
XLogP4.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-[3-(4-methoxyphenyl)propyl]-4-methyl-4-phenylpentanoic acid
CID 150251513
N-(2-hydroxy-2-phenylpropyl)-2-naphthalen-2-ylacetamide
CID 111335174
2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol
CID 57195699
benzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate
CID 164676045
2,2-difluoro-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 132547557
2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane
CID 144811646
2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid
CID 62817552
(2-methyl-2-phenylpropyl)tin(3+);tris(naphthalene-2-carboxylate)
CID 175018825
2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride
CID 117048269
diethyl 2,2-bis(naphthalen-2-ylmethyl)propanedioate
CID 135347063
2-benzyl-2-hydroxybutanoic acid
CID 22013212
(2R)-2-hydroxy-2-naphthalen-2-ylpropanal
CID 122375981

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-4-phenylpentanoic acid?
The IUPAC name of 2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-4-phenylpentanoic acid (CID 22284895) is 2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-4-phenylpentanoic acid.
What is the SMILES notation for 2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-4-phenylpentanoic acid?
The canonical SMILES for 2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-4-phenylpentanoic acid is CC(C)(CC(O)(Cc1ccc2ccccc2c1)C(=O)O)c1ccccc1.
What is the InChIKey of 2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-4-phenylpentanoic acid?
The InChIKey is YXSUMQPXXIZDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-22(2,20-10-4-3-5-11-20)16-23(26,21(24)25)15-17-12-13-18-8-6-7-9-19(18)14-17/h3-14,26H,15-16H2,1-2H3,(H,24,25).
What are the key properties of 2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-4-phenylpentanoic acid?
2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-4-phenylpentanoic acid has a molecular weight of 348.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-2-(naphthalen-2-ylmethyl)-4-phenylpentanoic acid is sourced from PubChem (CID 22284895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).