1-chloro-4-(1-diethoxyphosphorylethenyl)benzene

C12H16ClO3P — CID 102104724

IUPAC1-chloro-4-(1-diethoxyphosphorylethenyl)benzene
SMILESC=C(c1ccc(Cl)cc1)P(=O)(OCC)OCC
InChIInChI=1S/C12H16ClO3P/c1-4-15-17(14,16-5-2)10(3)11-6-8-12(13)9-7-11/h6-9H,3-5H2,1-2H3
InChIKeySIRPFCJDISRINY-UHFFFAOYSA-N
MW274.68 g/mol
LogP4.58
Rot. Bonds6

About 1-chloro-4-(1-diethoxyphosphorylethenyl)benzene

1-chloro-4-(1-diethoxyphosphorylethenyl)benzene (PubChem CID 102104724) has the molecular formula C12H16ClO3P and a molecular weight of 274.68 g/mol. Its IUPAC name is 1-chloro-4-(1-diethoxyphosphorylethenyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(1-diethoxyphosphorylethenyl)benzene
PubChem CID102104724
Molecular FormulaC12H16ClO3P
Molecular Weight274.68 g/mol
Exact Mass274.05
IUPAC Name1-chloro-4-(1-diethoxyphosphorylethenyl)benzene
SMILESC=C(c1ccc(Cl)cc1)P(=O)(OCC)OCC
InChIInChI=1S/C12H16ClO3P/c1-4-15-17(14,16-5-2)10(3)11-6-8-12(13)9-7-11/h6-9H,3-5H2,1-2H3
InChIKeySIRPFCJDISRINY-UHFFFAOYSA-N
XLogP4.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.68
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene
CID 23280250
1-chloro-1-diethoxyphosphorylethene
CID 11481045
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
[(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid
CID 102300014
4-chloro-N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)benzamide
CID 2830396
1-(4-chlorophenyl)-2-(N-diethoxyphosphoryl-4-fluoroanilino)ethanone
CID 101459764
1-chloro-4-(3-diethoxyphosphorylprop-1-enyl)benzene
CID 85401894
2-(4-chlorophenyl)prop-2-enyl ethyl carbonate
CID 102130678
(NE)-N-[(2,4-dichlorophenyl)-diethoxyphosphorylmethylidene]hydroxylamine
CID 11110183
3-(4-chlorophenyl)prop-2-enyl diethyl phosphate
CID 71374649
1-(4-chlorophenyl)-3-diethoxyphosphorylthiourea
CID 14867421
1-chloro-4-[ethoxy(ethyl)phosphoryl]sulfanylbenzene
CID 3046596

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1-diethoxyphosphorylethenyl)benzene?
The IUPAC name of 1-chloro-4-(1-diethoxyphosphorylethenyl)benzene (CID 102104724) is 1-chloro-4-(1-diethoxyphosphorylethenyl)benzene.
What is the SMILES notation for 1-chloro-4-(1-diethoxyphosphorylethenyl)benzene?
The canonical SMILES for 1-chloro-4-(1-diethoxyphosphorylethenyl)benzene is C=C(c1ccc(Cl)cc1)P(=O)(OCC)OCC.
What is the InChIKey of 1-chloro-4-(1-diethoxyphosphorylethenyl)benzene?
The InChIKey is SIRPFCJDISRINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClO3P/c1-4-15-17(14,16-5-2)10(3)11-6-8-12(13)9-7-11/h6-9H,3-5H2,1-2H3.
What are the key properties of 1-chloro-4-(1-diethoxyphosphorylethenyl)benzene?
1-chloro-4-(1-diethoxyphosphorylethenyl)benzene has a molecular weight of 274.68 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1-diethoxyphosphorylethenyl)benzene is sourced from PubChem (CID 102104724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).