3-phenyl-4,5-di(propan-2-yl)-1H-phosphole-2-carbonyl chloride

C17H20ClOP — CID 139838781

IUPAC3-phenyl-4,5-di(propan-2-yl)-1H-phosphole-2-carbonyl chloride
SMILESCC(C)c1[pH]c(C(=O)Cl)c(-c2ccccc2)c1C(C)C
InChIInChI=1S/C17H20ClOP/c1-10(2)13-14(12-8-6-5-7-9-12)16(17(18)19)20-15(13)11(3)4/h5-11,20H,1-4H3
InChIKeyBSXLEURPQGVGHN-UHFFFAOYSA-N
MW306.77 g/mol
LogP6.01
Rot. Bonds4

About 3-phenyl-4,5-di(propan-2-yl)-1H-phosphole-2-carbonyl chloride

3-phenyl-4,5-di(propan-2-yl)-1H-phosphole-2-carbonyl chloride (PubChem CID 139838781) has the molecular formula C17H20ClOP and a molecular weight of 306.77 g/mol. Its IUPAC name is 3-phenyl-4,5-di(propan-2-yl)-1H-phosphole-2-carbonyl chloride.

Molecular Properties

Compound Name3-phenyl-4,5-di(propan-2-yl)-1H-phosphole-2-carbonyl chloride
PubChem CID139838781
Molecular FormulaC17H20ClOP
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name3-phenyl-4,5-di(propan-2-yl)-1H-phosphole-2-carbonyl chloride
SMILESCC(C)c1[pH]c(C(=O)Cl)c(-c2ccccc2)c1C(C)C
InChIInChI=1S/C17H20ClOP/c1-10(2)13-14(12-8-6-5-7-9-12)16(17(18)19)20-15(13)11(3)4/h5-11,20H,1-4H3
InChIKeyBSXLEURPQGVGHN-UHFFFAOYSA-N
XLogP6.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.77
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-phenyl-4,5-di(propan-2-yl)-1H-phosphole-2-carbonyl chloride 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

1,3,5-triphenyl-2,4,6-tri(propan-2-yl)benzene
CID 175984465
2-phenyl-3,4-di(propan-2-yl)benzoic acid
CID 70035645
2,4-diphenyl-1,3,5-tri(propan-2-yl)benzene
CID 158905708
acetic acid;1,1'-biphenyl;ethane
CID 91464981
acetic acid;1,1'-biphenyl;zinc
CID 70522083
1,3-dicyclohexyl-5-phenyl-2,4,6-tri(propan-2-yl)benzene
CID 175032315
acetic acid;cumene
CID 172767405
2-(4-methyl-3-phenyl-5-propan-2-yl-1H-pyrrol-2-yl)-2-oxoacetyl chloride
CID 91250999
3-phenyl-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride
CID 21317239
3-phenyl-2,4-di(propan-2-yl)benzenesulfonic acid
CID 175728387
1-(3-phenyl-2-propan-2-ylphenyl)ethanone
CID 139652419
3-phenyl-4,5-di(propan-2-yl)benzene-1,2-diol
CID 88710522

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4,5-di(propan-2-yl)-1H-phosphole-2-carbonyl chloride?
The IUPAC name of 3-phenyl-4,5-di(propan-2-yl)-1H-phosphole-2-carbonyl chloride (CID 139838781) is 3-phenyl-4,5-di(propan-2-yl)-1H-phosphole-2-carbonyl chloride.
What is the SMILES notation for 3-phenyl-4,5-di(propan-2-yl)-1H-phosphole-2-carbonyl chloride?
The canonical SMILES for 3-phenyl-4,5-di(propan-2-yl)-1H-phosphole-2-carbonyl chloride is CC(C)c1[pH]c(C(=O)Cl)c(-c2ccccc2)c1C(C)C.
What is the InChIKey of 3-phenyl-4,5-di(propan-2-yl)-1H-phosphole-2-carbonyl chloride?
The InChIKey is BSXLEURPQGVGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClOP/c1-10(2)13-14(12-8-6-5-7-9-12)16(17(18)19)20-15(13)11(3)4/h5-11,20H,1-4H3.
What are the key properties of 3-phenyl-4,5-di(propan-2-yl)-1H-phosphole-2-carbonyl chloride?
3-phenyl-4,5-di(propan-2-yl)-1H-phosphole-2-carbonyl chloride has a molecular weight of 306.77 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4,5-di(propan-2-yl)-1H-phosphole-2-carbonyl chloride is sourced from PubChem (CID 139838781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).