1-dimethylphosphoryloxyethenylbenzene

C10H13O2P — CID 12869457

IUPAC1-dimethylphosphoryloxyethenylbenzene
SMILESC=C(OP(C)(C)=O)c1ccccc1
InChIInChI=1S/C10H13O2P/c1-9(12-13(2,3)11)10-7-5-4-6-8-10/h4-8H,1H2,2-3H3
InChIKeyMOYRPRZHJUHSHZ-UHFFFAOYSA-N
MW196.19 g/mol
LogP3.21
Rot. Bonds3

About 1-dimethylphosphoryloxyethenylbenzene

1-dimethylphosphoryloxyethenylbenzene (PubChem CID 12869457) has the molecular formula C10H13O2P and a molecular weight of 196.19 g/mol. Its IUPAC name is 1-dimethylphosphoryloxyethenylbenzene.

Molecular Properties

Compound Name1-dimethylphosphoryloxyethenylbenzene
PubChem CID12869457
Molecular FormulaC10H13O2P
Molecular Weight196.19 g/mol
Exact Mass196.07
IUPAC Name1-dimethylphosphoryloxyethenylbenzene
SMILESC=C(OP(C)(C)=O)c1ccccc1
InChIInChI=1S/C10H13O2P/c1-9(12-13(2,3)11)10-7-5-4-6-8-10/h4-8H,1H2,2-3H3
InChIKeyMOYRPRZHJUHSHZ-UHFFFAOYSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene
CID 11324093
1-dimethylphosphorylethenylbenzene
CID 89402997
N-[dimethylamino(1-phenylethenyl)phosphoryl]-N-methylmethanamine
CID 71427934
1-phosphorosooxyethenylbenzene
CID 57228195
(2S)-2,3-bis(1-phenylethenoxy)butanedioic acid;ethane
CID 171625530
diethoxy-(1-phenylethenoxy)-phenylimino-lambda5-phosphane
CID 13103962
1-but-1-en-2-yloxyethenylbenzene
CID 147866453
bis(1-phenylethenyl) (Z)-but-2-enedioate
CID 174301513
bis(1-phenylethenyl) propanedioate
CID 89421618
1-sulfanylperoxyethenylbenzene
CID 89301508
ethyl 1-phenylethenyl carbonate
CID 10081285
1-phenylethenyl but-2-enoate
CID 68623165

Frequently Asked Questions

What is the IUPAC name of 1-dimethylphosphoryloxyethenylbenzene?
The IUPAC name of 1-dimethylphosphoryloxyethenylbenzene (CID 12869457) is 1-dimethylphosphoryloxyethenylbenzene.
What is the SMILES notation for 1-dimethylphosphoryloxyethenylbenzene?
The canonical SMILES for 1-dimethylphosphoryloxyethenylbenzene is C=C(OP(C)(C)=O)c1ccccc1.
What is the InChIKey of 1-dimethylphosphoryloxyethenylbenzene?
The InChIKey is MOYRPRZHJUHSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O2P/c1-9(12-13(2,3)11)10-7-5-4-6-8-10/h4-8H,1H2,2-3H3.
What are the key properties of 1-dimethylphosphoryloxyethenylbenzene?
1-dimethylphosphoryloxyethenylbenzene has a molecular weight of 196.19 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylphosphoryloxyethenylbenzene is sourced from PubChem (CID 12869457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).