[3,3-dimethylbut-1-enyl(phenyl)phosphoryl]benzene

C18H21OP — CID 71360809

IUPAC[3,3-dimethylbut-1-enyl(phenyl)phosphoryl]benzene
SMILESCC(C)(C)C=CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21OP/c1-18(2,3)14-15-20(19,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15H,1-3H3
InChIKeyWQYXFBFHONTMAA-UHFFFAOYSA-N
MW284.34 g/mol
LogP4.56
Rot. Bonds3

About [3,3-dimethylbut-1-enyl(phenyl)phosphoryl]benzene

[3,3-dimethylbut-1-enyl(phenyl)phosphoryl]benzene (PubChem CID 71360809) has the molecular formula C18H21OP and a molecular weight of 284.34 g/mol. Its IUPAC name is [3,3-dimethylbut-1-enyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[3,3-dimethylbut-1-enyl(phenyl)phosphoryl]benzene
PubChem CID71360809
Molecular FormulaC18H21OP
Molecular Weight284.34 g/mol
Exact Mass284.13
IUPAC Name[3,3-dimethylbut-1-enyl(phenyl)phosphoryl]benzene
SMILESCC(C)(C)C=CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21OP/c1-18(2,3)14-15-20(19,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15H,1-3H3
InChIKeyWQYXFBFHONTMAA-UHFFFAOYSA-N
XLogP4.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene
CID 102152479
[but-1-enyl(phenyl)phosphoryl]benzene
CID 177466990
tert-butylbenzene;diphenylphosphorylformaldehyde
CID 174403578
(Z)-1-diphenylphosphoryl-3,3-dimethylbut-1-en-2-amine
CID 91998631
(E)-2-diphenylphosphoryl-N,N-diethylethenamine
CID 13215077
[tert-butyl(methyl)phosphoryl]benzene
CID 12568654
[ethenyl(methyl)phosphoryl]benzene
CID 10920870
[tert-butyl(methyl)phosphoryl]benzene
CID 12568653
2-(2-diphenylphosphorylethenyl)thiophene
CID 73098727
diphenylphosphorylformaldehyde;styrene
CID 160785647
[chloro-[(Z)-2-chloroethenyl]phosphoryl]benzene
CID 23260967
1-[(1-amino-1-chloroethyl)-phenylphosphoryl]-1-chloroethanamine
CID 168876205

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethylbut-1-enyl(phenyl)phosphoryl]benzene?
The IUPAC name of [3,3-dimethylbut-1-enyl(phenyl)phosphoryl]benzene (CID 71360809) is [3,3-dimethylbut-1-enyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for [3,3-dimethylbut-1-enyl(phenyl)phosphoryl]benzene?
The canonical SMILES for [3,3-dimethylbut-1-enyl(phenyl)phosphoryl]benzene is CC(C)(C)C=CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3,3-dimethylbut-1-enyl(phenyl)phosphoryl]benzene?
The InChIKey is WQYXFBFHONTMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21OP/c1-18(2,3)14-15-20(19,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15H,1-3H3.
What are the key properties of [3,3-dimethylbut-1-enyl(phenyl)phosphoryl]benzene?
[3,3-dimethylbut-1-enyl(phenyl)phosphoryl]benzene has a molecular weight of 284.34 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethylbut-1-enyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 71360809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).