(2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane

C11H15Cl2O2P — CID 15051117

IUPAC(2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane
SMILESCOc1ccc(OP(Cl)Cl)c(C(C)(C)C)c1
InChIInChI=1S/C11H15Cl2O2P/c1-11(2,3)9-7-8(14-4)5-6-10(9)15-16(12)13/h5-7H,1-4H3
InChIKeyVHTZYXSLSYUCNR-UHFFFAOYSA-N
MW281.12 g/mol
LogP5.08
Rot. Bonds3

About (2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane

(2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane (PubChem CID 15051117) has the molecular formula C11H15Cl2O2P and a molecular weight of 281.12 g/mol. Its IUPAC name is (2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane.

Molecular Properties

Compound Name(2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane
PubChem CID15051117
Molecular FormulaC11H15Cl2O2P
Molecular Weight281.12 g/mol
Exact Mass280.02
IUPAC Name(2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane
SMILESCOc1ccc(OP(Cl)Cl)c(C(C)(C)C)c1
InChIInChI=1S/C11H15Cl2O2P/c1-11(2,3)9-7-8(14-4)5-6-10(9)15-16(12)13/h5-7H,1-4H3
InChIKeyVHTZYXSLSYUCNR-UHFFFAOYSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.12
LogP ≤ 55.08
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

bis(2-tert-butyl-4-methoxyphenyl) carbonate
CID 168985154
1-(3-bromopropoxy)-2-tert-butyl-4-methoxybenzene
CID 43135423
2-tert-butyl-4-methoxyphenol;ethane
CID 91123159
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 60879729
2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride
CID 157336845
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine
CID 62038909
2-tert-butyl-4-methoxyphenolate
CID 19016621
[(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 100798601
5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine
CID 65256212
2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene
CID 82081447
2-tert-butyl-1-isocyano-4-methoxybenzene
CID 168769400
5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentanenitrile
CID 65257858

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane?
The IUPAC name of (2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane (CID 15051117) is (2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane.
What is the SMILES notation for (2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane?
The canonical SMILES for (2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane is COc1ccc(OP(Cl)Cl)c(C(C)(C)C)c1.
What is the InChIKey of (2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane?
The InChIKey is VHTZYXSLSYUCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2O2P/c1-11(2,3)9-7-8(14-4)5-6-10(9)15-16(12)13/h5-7H,1-4H3.
What are the key properties of (2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane?
(2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane has a molecular weight of 281.12 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane is sourced from PubChem (CID 15051117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).