2-diphenylphosphanyl-2-methylpentanoic acid

C18H21O2P — CID 174669720

IUPAC2-diphenylphosphanyl-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21O2P/c1-3-14-18(2,17(19)20)21(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,3,14H2,1-2H3,(H,19,20)
InChIKeyLZIKUJMNBMKJLX-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.76
Rot. Bonds6

About 2-diphenylphosphanyl-2-methylpentanoic acid

2-diphenylphosphanyl-2-methylpentanoic acid (PubChem CID 174669720) has the molecular formula C18H21O2P and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-diphenylphosphanyl-2-methylpentanoic acid.

Molecular Properties

Compound Name2-diphenylphosphanyl-2-methylpentanoic acid
PubChem CID174669720
Molecular FormulaC18H21O2P
Molecular Weight300.34 g/mol
Exact Mass300.13
IUPAC Name2-diphenylphosphanyl-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21O2P/c1-3-14-18(2,17(19)20)21(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,3,14H2,1-2H3,(H,19,20)
InChIKeyLZIKUJMNBMKJLX-UHFFFAOYSA-N
XLogP3.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1-chloro-1-diphenylphosphanylbutyl)-diphenylphosphane
CID 87672181
3-methylpentan-3-yl(diphenyl)phosphane
CID 23414394
2-anilino-2-methylpentanoic acid
CID 60992039
1-diphenylphosphanylethane-1,1-diol
CID 151023834
(1-diphenylphosphanyl-2-methyl-2-propylpentyl)-diphenylphosphane
CID 87259750
2,2-dimethylhexyl(diphenyl)phosphane
CID 143507399
(3S)-3-methyl-3-phenylhexan-2-one
CID 54421490
3,3-dimethylpentan-2-one;triphenylphosphane
CID 90841990
2-[2-(4-carboxyoctan-4-yl)phenyl]-2-propylhexanoic acid
CID 158765235
2,2-dimethylpropyl(diphenyl)phosphane;formaldehyde;rhodium
CID 88689211
1-diphenylphosphanylethenyl(diphenyl)phosphane;hexane
CID 131733424
2-methyl-2-[(2-methylphenyl)methyl]pentanoic acid
CID 62738371

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-2-methylpentanoic acid?
The IUPAC name of 2-diphenylphosphanyl-2-methylpentanoic acid (CID 174669720) is 2-diphenylphosphanyl-2-methylpentanoic acid.
What is the SMILES notation for 2-diphenylphosphanyl-2-methylpentanoic acid?
The canonical SMILES for 2-diphenylphosphanyl-2-methylpentanoic acid is CCCC(C)(C(=O)O)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanyl-2-methylpentanoic acid?
The InChIKey is LZIKUJMNBMKJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O2P/c1-3-14-18(2,17(19)20)21(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,3,14H2,1-2H3,(H,19,20).
What are the key properties of 2-diphenylphosphanyl-2-methylpentanoic acid?
2-diphenylphosphanyl-2-methylpentanoic acid has a molecular weight of 300.34 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-2-methylpentanoic acid is sourced from PubChem (CID 174669720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).