1-chloro-4-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]benzene

C22H20ClO2P — CID 102168111

IUPAC1-chloro-4-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]benzene
SMILESCOC/C(=C/c1ccc(Cl)cc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20ClO2P/c1-25-17-22(16-18-12-14-19(23)15-13-18)26(24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-16H,17H2,1H3/b22-16-
InChIKeyMMIQJHOSUGPZOE-JWGURIENSA-N
MW382.83 g/mol
LogP5.34
Rot. Bonds6

About 1-chloro-4-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]benzene

1-chloro-4-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]benzene (PubChem CID 102168111) has the molecular formula C22H20ClO2P and a molecular weight of 382.83 g/mol. Its IUPAC name is 1-chloro-4-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]benzene
PubChem CID102168111
Molecular FormulaC22H20ClO2P
Molecular Weight382.83 g/mol
Exact Mass382.09
IUPAC Name1-chloro-4-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]benzene
SMILESCOC/C(=C/c1ccc(Cl)cc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20ClO2P/c1-25-17-22(16-18-12-14-19(23)15-13-18)26(24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-16H,17H2,1H3/b22-16-
InChIKeyMMIQJHOSUGPZOE-JWGURIENSA-N
XLogP5.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.83
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]benzene?
The IUPAC name of 1-chloro-4-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]benzene (CID 102168111) is 1-chloro-4-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]benzene?
The canonical SMILES for 1-chloro-4-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]benzene is COC/C(=C/c1ccc(Cl)cc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-chloro-4-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]benzene?
The InChIKey is MMIQJHOSUGPZOE-JWGURIENSA-N. The full InChI is InChI=1S/C22H20ClO2P/c1-25-17-22(16-18-12-14-19(23)15-13-18)26(24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-16H,17H2,1H3/b22-16-.
What are the key properties of 1-chloro-4-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]benzene?
1-chloro-4-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]benzene has a molecular weight of 382.83 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(Z)-2-diphenylphosphoryl-3-methoxyprop-1-enyl]benzene is sourced from PubChem (CID 102168111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).