1-dimethylphosphorylethenylbenzene

C10H13OP — CID 89402997

IUPAC1-dimethylphosphorylethenylbenzene
SMILESC=C(c1ccccc1)P(C)(C)=O
InChIInChI=1S/C10H13OP/c1-9(12(2,3)11)10-7-5-4-6-8-10/h4-8H,1H2,2-3H3
InChIKeyQYSFNHOCZOKGLR-UHFFFAOYSA-N
MW180.19 g/mol
LogP3.28
Rot. Bonds2

About 1-dimethylphosphorylethenylbenzene

1-dimethylphosphorylethenylbenzene (PubChem CID 89402997) has the molecular formula C10H13OP and a molecular weight of 180.19 g/mol. Its IUPAC name is 1-dimethylphosphorylethenylbenzene.

Molecular Properties

Compound Name1-dimethylphosphorylethenylbenzene
PubChem CID89402997
Molecular FormulaC10H13OP
Molecular Weight180.19 g/mol
Exact Mass180.07
IUPAC Name1-dimethylphosphorylethenylbenzene
SMILESC=C(c1ccccc1)P(C)(C)=O
InChIInChI=1S/C10H13OP/c1-9(12(2,3)11)10-7-5-4-6-8-10/h4-8H,1H2,2-3H3
InChIKeyQYSFNHOCZOKGLR-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 53.28
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

N-[dimethylamino(1-phenylethenyl)phosphoryl]-N-methylmethanamine
CID 71427934
1-dimethylphosphoryloxyethenylbenzene
CID 12869457
1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
methylphosphonic acid;phenol
CID 175231709
phenol;1-phenylethenylbenzene
CID 174309625
but-3-en-2-yloxy(1-phenylethenyl)phosphinic acid
CID 88759865
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
phenacyl
CID 11123355
4-methylpent-1-en-3-yloxy(1-phenylethenyl)phosphinic acid
CID 88760741
2-dimethylphosphoryl-1-phenylethanone
CID 555432
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444

Frequently Asked Questions

What is the IUPAC name of 1-dimethylphosphorylethenylbenzene?
The IUPAC name of 1-dimethylphosphorylethenylbenzene (CID 89402997) is 1-dimethylphosphorylethenylbenzene.
What is the SMILES notation for 1-dimethylphosphorylethenylbenzene?
The canonical SMILES for 1-dimethylphosphorylethenylbenzene is C=C(c1ccccc1)P(C)(C)=O.
What is the InChIKey of 1-dimethylphosphorylethenylbenzene?
The InChIKey is QYSFNHOCZOKGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13OP/c1-9(12(2,3)11)10-7-5-4-6-8-10/h4-8H,1H2,2-3H3.
What are the key properties of 1-dimethylphosphorylethenylbenzene?
1-dimethylphosphorylethenylbenzene has a molecular weight of 180.19 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylphosphorylethenylbenzene is sourced from PubChem (CID 89402997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).