2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid

C25H26O3 — CID 175263687

IUPAC2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid
SMILESCC(C)(CC(O)(C(=O)O)C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26O3/c1-24(2,21-16-10-5-11-17-21)18-25(28,23(26)27)22(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-17,22,28H,18H2,1-2H3,(H,26,27)
InChIKeyRPJCNSZMKQZCKM-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.00
Rot. Bonds7

About 2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid

2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid (PubChem CID 175263687) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid.

Molecular Properties

Compound Name2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid
PubChem CID175263687
Molecular FormulaC25H26O3
Molecular Weight374.48 g/mol
Exact Mass374.19
IUPAC Name2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid
SMILESCC(C)(CC(O)(C(=O)O)C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26O3/c1-24(2,21-16-10-5-11-17-21)18-25(28,23(26)27)22(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-17,22,28H,18H2,1-2H3,(H,26,27)
InChIKeyRPJCNSZMKQZCKM-UHFFFAOYSA-N
XLogP5.00
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-hydroxy-3-phenylbutanoic acid
CID 79303573
2,3,3,5-tetramethyl-5-phenylhexanoic acid
CID 147319190
3,3,5-trimethyl-5-phenylhexanoic acid
CID 167163397
(2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene
CID 164800464
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)-2-phenylacetamide
CID 104897542
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide
CID 139254557
2-hydroxy-N-[2-[(2-hydroxy-2-methyl-3-phenylbutanoyl)-methylamino]ethyl]-N,2-dimethyl-3-phenylbutanamide
CID 167773618
(2R,4R)-2-methyl-2,4-diphenylpentanoic acid
CID 139765294
2-hydroxy-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide
CID 115179031
CID 158792811
CID 158792811
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid?
The IUPAC name of 2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid (CID 175263687) is 2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid.
What is the SMILES notation for 2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid?
The canonical SMILES for 2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid is CC(C)(CC(O)(C(=O)O)C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid?
The InChIKey is RPJCNSZMKQZCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O3/c1-24(2,21-16-10-5-11-17-21)18-25(28,23(26)27)22(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-17,22,28H,18H2,1-2H3,(H,26,27).
What are the key properties of 2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid?
2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid has a molecular weight of 374.48 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid is sourced from PubChem (CID 175263687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).