chloro-prop-2-ynyl-(2,4,6-tritert-butylphenoxy)phosphane

C21H32ClOP — CID 134879567

IUPACchloro-prop-2-ynyl-(2,4,6-tritert-butylphenoxy)phosphane
SMILESC#CCP(Cl)Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C21H32ClOP/c1-11-12-24(22)23-18-16(20(5,6)7)13-15(19(2,3)4)14-17(18)21(8,9)10/h1,13-14H,12H2,2-10H3
InChIKeySUUYZSRRMUUXQG-UHFFFAOYSA-N
MW366.91 g/mol
LogP7.14
Rot. Bonds3

About chloro-prop-2-ynyl-(2,4,6-tritert-butylphenoxy)phosphane

chloro-prop-2-ynyl-(2,4,6-tritert-butylphenoxy)phosphane (PubChem CID 134879567) has the molecular formula C21H32ClOP and a molecular weight of 366.91 g/mol. Its IUPAC name is chloro-prop-2-ynyl-(2,4,6-tritert-butylphenoxy)phosphane.

Molecular Properties

Compound Namechloro-prop-2-ynyl-(2,4,6-tritert-butylphenoxy)phosphane
PubChem CID134879567
Molecular FormulaC21H32ClOP
Molecular Weight366.91 g/mol
Exact Mass366.19
IUPAC Namechloro-prop-2-ynyl-(2,4,6-tritert-butylphenoxy)phosphane
SMILESC#CCP(Cl)Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C21H32ClOP/c1-11-12-24(22)23-18-16(20(5,6)7)13-15(19(2,3)4)14-17(18)21(8,9)10/h1,13-14H,12H2,2-10H3
InChIKeySUUYZSRRMUUXQG-UHFFFAOYSA-N
XLogP7.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.91
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chloro-bis(2,6-ditert-butyl-4-chlorophenoxy)phosphane
CID 23331256
2,4-ditert-butyl-1-prop-2-ynoxybenzene
CID 50886344
bis(2,4-ditert-butyl-6-methylphenoxy)-fluorophosphane
CID 54348247
dibismuth;tris((2,4-ditert-butylphenyl) phosphite)
CID 159144248
1,5-ditert-butyl-3-chloro-2-methoxybenzene
CID 154097245
(2,4,6-tritert-butylphenyl) nitrite
CID 14950011
dihydroxy-bis(2,4,6-tritert-butylphenoxy)silane
CID 101416642
dihydroxy-(2,4,6-tritert-butylphenyl)peroxysilane
CID 162081075
[dimethyl-(2,4,6-tritert-butylphenoxy)silyl]formonitrile
CID 134900930
2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane
CID 139718939
1,5-ditert-butyl-3-iodo-2-methoxybenzene
CID 13068630
(2,4-ditert-butylphenoxy)-dimethylphosphane
CID 19091733

Frequently Asked Questions

What is the IUPAC name of chloro-prop-2-ynyl-(2,4,6-tritert-butylphenoxy)phosphane?
The IUPAC name of chloro-prop-2-ynyl-(2,4,6-tritert-butylphenoxy)phosphane (CID 134879567) is chloro-prop-2-ynyl-(2,4,6-tritert-butylphenoxy)phosphane.
What is the SMILES notation for chloro-prop-2-ynyl-(2,4,6-tritert-butylphenoxy)phosphane?
The canonical SMILES for chloro-prop-2-ynyl-(2,4,6-tritert-butylphenoxy)phosphane is C#CCP(Cl)Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of chloro-prop-2-ynyl-(2,4,6-tritert-butylphenoxy)phosphane?
The InChIKey is SUUYZSRRMUUXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32ClOP/c1-11-12-24(22)23-18-16(20(5,6)7)13-15(19(2,3)4)14-17(18)21(8,9)10/h1,13-14H,12H2,2-10H3.
What are the key properties of chloro-prop-2-ynyl-(2,4,6-tritert-butylphenoxy)phosphane?
chloro-prop-2-ynyl-(2,4,6-tritert-butylphenoxy)phosphane has a molecular weight of 366.91 g/mol, XLogP of 7.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-prop-2-ynyl-(2,4,6-tritert-butylphenoxy)phosphane is sourced from PubChem (CID 134879567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).