2-(2-dodecylphenyl)propan-2-ylphosphane;hydrochloride

C21H38ClP — CID 173357060

IUPAC2-(2-dodecylphenyl)propan-2-ylphosphane;hydrochloride
SMILESCCCCCCCCCCCCc1ccccc1C(C)(C)P.Cl
InChIInChI=1S/C21H37P.ClH/c1-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)21(2,3)22;/h14-15,17-18H,4-13,16,22H2,1-3H3;1H
InChIKeyBZRDOKFTWQONDR-UHFFFAOYSA-N
MW356.96 g/mol
LogP7.68
Rot. Bonds12

About 2-(2-dodecylphenyl)propan-2-ylphosphane;hydrochloride

2-(2-dodecylphenyl)propan-2-ylphosphane;hydrochloride (PubChem CID 173357060) has the molecular formula C21H38ClP and a molecular weight of 356.96 g/mol. Its IUPAC name is 2-(2-dodecylphenyl)propan-2-ylphosphane;hydrochloride.

Molecular Properties

Compound Name2-(2-dodecylphenyl)propan-2-ylphosphane;hydrochloride
PubChem CID173357060
Molecular FormulaC21H38ClP
Molecular Weight356.96 g/mol
Exact Mass356.24
IUPAC Name2-(2-dodecylphenyl)propan-2-ylphosphane;hydrochloride
SMILESCCCCCCCCCCCCc1ccccc1C(C)(C)P.Cl
InChIInChI=1S/C21H37P.ClH/c1-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)21(2,3)22;/h14-15,17-18H,4-13,16,22H2,1-3H3;1H
InChIKeyBZRDOKFTWQONDR-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.96
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(2-dodecylphenyl)propan-2-ylphosphane;hydrochloride 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

1-(2-bromopropan-2-yl)-2-undecylbenzene
CID 166519006
1-(2-bromopropan-2-yl)-2-tetradecylbenzene
CID 141042240
1-(2-chloropropan-2-yl)-2-dodecylbenzene
CID 22556238
sodium;2-(2-dodecylphenyl)propan-2-amine;hydride;hydrochloride
CID 173446112
azane;1-(2-chloropropan-2-yl)-2-octadecylbenzene
CID 70233090
2-(2-octylphenyl)propan-2-amine;hydrobromide
CID 173314591
[(2-nonylphenyl)-diphenylmethyl]phosphane;hydrobromide
CID 175428923
1-(1,1-difluoroethyl)-2-pentylbenzene
CID 143129325
1-(3-chloropentan-3-yl)-2-tetradecylbenzene
CID 172561947
2-(2-docosylphenyl)tetracosan-2-amine
CID 89487184
1-dodecyl-2-hexylbenzene
CID 19371073
1-hexadecyl-2-pentylbenzene
CID 53438584

Frequently Asked Questions

What is the IUPAC name of 2-(2-dodecylphenyl)propan-2-ylphosphane;hydrochloride?
The IUPAC name of 2-(2-dodecylphenyl)propan-2-ylphosphane;hydrochloride (CID 173357060) is 2-(2-dodecylphenyl)propan-2-ylphosphane;hydrochloride.
What is the SMILES notation for 2-(2-dodecylphenyl)propan-2-ylphosphane;hydrochloride?
The canonical SMILES for 2-(2-dodecylphenyl)propan-2-ylphosphane;hydrochloride is CCCCCCCCCCCCc1ccccc1C(C)(C)P.Cl.
What is the InChIKey of 2-(2-dodecylphenyl)propan-2-ylphosphane;hydrochloride?
The InChIKey is BZRDOKFTWQONDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37P.ClH/c1-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)21(2,3)22;/h14-15,17-18H,4-13,16,22H2,1-3H3;1H.
What are the key properties of 2-(2-dodecylphenyl)propan-2-ylphosphane;hydrochloride?
2-(2-dodecylphenyl)propan-2-ylphosphane;hydrochloride has a molecular weight of 356.96 g/mol, XLogP of 7.68, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dodecylphenyl)propan-2-ylphosphane;hydrochloride is sourced from PubChem (CID 173357060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).