bis(4-chlorophenyl)-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]phosphane

C18H19Cl2O2P — CID 145039317

IUPACbis(4-chlorophenyl)-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]phosphane
SMILESCC1(C)OCC(CP(c2ccc(Cl)cc2)c2ccc(Cl)cc2)O1
InChIInChI=1S/C18H19Cl2O2P/c1-18(2)21-11-15(22-18)12-23(16-7-3-13(19)4-8-16)17-9-5-14(20)6-10-17/h3-10,15H,11-12H2,1-2H3
InChIKeyKLEMKDDVRKPCNC-UHFFFAOYSA-N
MW369.23 g/mol
LogP4.58
Rot. Bonds4

About bis(4-chlorophenyl)-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]phosphane

bis(4-chlorophenyl)-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]phosphane (PubChem CID 145039317) has the molecular formula C18H19Cl2O2P and a molecular weight of 369.23 g/mol. Its IUPAC name is bis(4-chlorophenyl)-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]phosphane.

Molecular Properties

Compound Namebis(4-chlorophenyl)-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]phosphane
PubChem CID145039317
Molecular FormulaC18H19Cl2O2P
Molecular Weight369.23 g/mol
Exact Mass368.05
IUPAC Namebis(4-chlorophenyl)-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]phosphane
SMILESCC1(C)OCC(CP(c2ccc(Cl)cc2)c2ccc(Cl)cc2)O1
InChIInChI=1S/C18H19Cl2O2P/c1-18(2)21-11-15(22-18)12-23(16-7-3-13(19)4-8-16)17-9-5-14(20)6-10-17/h3-10,15H,11-12H2,1-2H3
InChIKeyKLEMKDDVRKPCNC-UHFFFAOYSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(4R,5R)-5-[bis(4-chlorophenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-chlorophenyl)phosphane
CID 118920803
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane
CID 145039301
4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
CID 103762524
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
4-chloro-2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]benzonitrile
CID 10706967
(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride
CID 21466688
5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide
CID 103842932
(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane
CID 14271784
(4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 123766397
[2-[(4-chlorophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 82024324
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium bromide
CID 11059758

Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenyl)-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]phosphane?
The IUPAC name of bis(4-chlorophenyl)-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]phosphane (CID 145039317) is bis(4-chlorophenyl)-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]phosphane.
What is the SMILES notation for bis(4-chlorophenyl)-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]phosphane?
The canonical SMILES for bis(4-chlorophenyl)-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]phosphane is CC1(C)OCC(CP(c2ccc(Cl)cc2)c2ccc(Cl)cc2)O1.
What is the InChIKey of bis(4-chlorophenyl)-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]phosphane?
The InChIKey is KLEMKDDVRKPCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2O2P/c1-18(2)21-11-15(22-18)12-23(16-7-3-13(19)4-8-16)17-9-5-14(20)6-10-17/h3-10,15H,11-12H2,1-2H3.
What are the key properties of bis(4-chlorophenyl)-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]phosphane?
bis(4-chlorophenyl)-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]phosphane has a molecular weight of 369.23 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenyl)-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]phosphane is sourced from PubChem (CID 145039317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).