[2-(hydroxymethyl)cyclopentyl]-dimethyl-phenylphosphanium

C14H22OP+ — CID 90741599

IUPAC[2-(hydroxymethyl)cyclopentyl]-dimethyl-phenylphosphanium
SMILESC[P+](C)(c1ccccc1)C1CCCC1CO
InChIInChI=1S/C14H22OP/c1-16(2,13-8-4-3-5-9-13)14-10-6-7-12(14)11-15/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3/q+1
InChIKeyCRSTUCQXASJEMJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.75
Rot. Bonds3

About [2-(hydroxymethyl)cyclopentyl]-dimethyl-phenylphosphanium

[2-(hydroxymethyl)cyclopentyl]-dimethyl-phenylphosphanium (PubChem CID 90741599) has the molecular formula C14H22OP+ and a molecular weight of 237.30 g/mol. Its IUPAC name is [2-(hydroxymethyl)cyclopentyl]-dimethyl-phenylphosphanium.

Molecular Properties

Compound Name[2-(hydroxymethyl)cyclopentyl]-dimethyl-phenylphosphanium
PubChem CID90741599
Molecular FormulaC14H22OP+
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name[2-(hydroxymethyl)cyclopentyl]-dimethyl-phenylphosphanium
SMILESC[P+](C)(c1ccccc1)C1CCCC1CO
InChIInChI=1S/C14H22OP/c1-16(2,13-8-4-3-5-9-13)14-10-6-7-12(14)11-15/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3/q+1
InChIKeyCRSTUCQXASJEMJ-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2-(hydroxymethyl)cyclopentyl]-dimethyl-phenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium
CID 90743045
[2-[(2S,4S)-4-(methoxymethyl)-1,3-dioxan-2-yl]cyclopentyl]-dimethyl-phenylphosphanium
CID 91349043
[2-[(1-amino-3-phenylbutan-2-yl)amino]cyclopentyl]methanol
CID 106359972
[(1S,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]cyclopentyl]methanol
CID 141015716
ethene;[2-(hydroxymethyl)cyclopentyl]methanol;styrene
CID 162435875
[2-(1-phenylpropylamino)cyclohexyl]methanol
CID 113261894
cyclopentane;dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium
CID 91318546
(1R)-1-cyclopentyl-N,N-dimethylethanamine;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium;dimethyl(phenyl)phosphane
CID 91444894
cyclopentyl-methyl-diphenylphosphanium
CID 23413005
cyclobutylmethyl(triphenyl)phosphanium bromide
CID 86583711
2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol
CID 113383805
2-[2-(hydroxymethyl)cyclohexyl]propanoic acid
CID 19848344

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)cyclopentyl]-dimethyl-phenylphosphanium?
The IUPAC name of [2-(hydroxymethyl)cyclopentyl]-dimethyl-phenylphosphanium (CID 90741599) is [2-(hydroxymethyl)cyclopentyl]-dimethyl-phenylphosphanium.
What is the SMILES notation for [2-(hydroxymethyl)cyclopentyl]-dimethyl-phenylphosphanium?
The canonical SMILES for [2-(hydroxymethyl)cyclopentyl]-dimethyl-phenylphosphanium is C[P+](C)(c1ccccc1)C1CCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)cyclopentyl]-dimethyl-phenylphosphanium?
The InChIKey is CRSTUCQXASJEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OP/c1-16(2,13-8-4-3-5-9-13)14-10-6-7-12(14)11-15/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3/q+1.
What are the key properties of [2-(hydroxymethyl)cyclopentyl]-dimethyl-phenylphosphanium?
[2-(hydroxymethyl)cyclopentyl]-dimethyl-phenylphosphanium has a molecular weight of 237.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)cyclopentyl]-dimethyl-phenylphosphanium is sourced from PubChem (CID 90741599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).