tert-butyl-chloro-(2-methoxyphenyl)phosphane

C11H16ClOP — CID 166063734

IUPACtert-butyl-chloro-(2-methoxyphenyl)phosphane
SMILESCOc1ccccc1P(Cl)C(C)(C)C
InChIInChI=1S/C11H16ClOP/c1-11(2,3)14(12)10-8-6-5-7-9(10)13-4/h5-8H,1-4H3
InChIKeyQZONTJBGOWCHIB-UHFFFAOYSA-N
MW230.68 g/mol
LogP3.75
Rot. Bonds2

About tert-butyl-chloro-(2-methoxyphenyl)phosphane

tert-butyl-chloro-(2-methoxyphenyl)phosphane (PubChem CID 166063734) has the molecular formula C11H16ClOP and a molecular weight of 230.68 g/mol. Its IUPAC name is tert-butyl-chloro-(2-methoxyphenyl)phosphane.

Molecular Properties

Compound Nametert-butyl-chloro-(2-methoxyphenyl)phosphane
PubChem CID166063734
Molecular FormulaC11H16ClOP
Molecular Weight230.68 g/mol
Exact Mass230.06
IUPAC Nametert-butyl-chloro-(2-methoxyphenyl)phosphane
SMILESCOc1ccccc1P(Cl)C(C)(C)C
InChIInChI=1S/C11H16ClOP/c1-11(2,3)14(12)10-8-6-5-7-9(10)13-4/h5-8H,1-4H3
InChIKeyQZONTJBGOWCHIB-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.68
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-chloro-(2-methoxyphenyl)phosphane?
The IUPAC name of tert-butyl-chloro-(2-methoxyphenyl)phosphane (CID 166063734) is tert-butyl-chloro-(2-methoxyphenyl)phosphane.
What is the SMILES notation for tert-butyl-chloro-(2-methoxyphenyl)phosphane?
The canonical SMILES for tert-butyl-chloro-(2-methoxyphenyl)phosphane is COc1ccccc1P(Cl)C(C)(C)C.
What is the InChIKey of tert-butyl-chloro-(2-methoxyphenyl)phosphane?
The InChIKey is QZONTJBGOWCHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClOP/c1-11(2,3)14(12)10-8-6-5-7-9(10)13-4/h5-8H,1-4H3.
What are the key properties of tert-butyl-chloro-(2-methoxyphenyl)phosphane?
tert-butyl-chloro-(2-methoxyphenyl)phosphane has a molecular weight of 230.68 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-chloro-(2-methoxyphenyl)phosphane is sourced from PubChem (CID 166063734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).