4-(4-dimethoxyphosphoryl-2-methylbutan-2-yl)phenol

C13H21O4P — CID 19864965

IUPAC4-(4-dimethoxyphosphoryl-2-methylbutan-2-yl)phenol
SMILESCOP(=O)(CCC(C)(C)c1ccc(O)cc1)OC
InChIInChI=1S/C13H21O4P/c1-13(2,9-10-18(15,16-3)17-4)11-5-7-12(14)8-6-11/h5-8,14H,9-10H2,1-4H3
InChIKeyAYDAPUIAVCFXJL-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.55
Rot. Bonds6

About 4-(4-dimethoxyphosphoryl-2-methylbutan-2-yl)phenol

4-(4-dimethoxyphosphoryl-2-methylbutan-2-yl)phenol (PubChem CID 19864965) has the molecular formula C13H21O4P and a molecular weight of 272.28 g/mol. Its IUPAC name is 4-(4-dimethoxyphosphoryl-2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name4-(4-dimethoxyphosphoryl-2-methylbutan-2-yl)phenol
PubChem CID19864965
Molecular FormulaC13H21O4P
Molecular Weight272.28 g/mol
Exact Mass272.12
IUPAC Name4-(4-dimethoxyphosphoryl-2-methylbutan-2-yl)phenol
SMILESCOP(=O)(CCC(C)(C)c1ccc(O)cc1)OC
InChIInChI=1S/C13H21O4P/c1-13(2,9-10-18(15,16-3)17-4)11-5-7-12(14)8-6-11/h5-8,14H,9-10H2,1-4H3
InChIKeyAYDAPUIAVCFXJL-UHFFFAOYSA-N
XLogP3.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-dimethoxyphosphoryl-2-methylbutan-2-yl)phenol?
The IUPAC name of 4-(4-dimethoxyphosphoryl-2-methylbutan-2-yl)phenol (CID 19864965) is 4-(4-dimethoxyphosphoryl-2-methylbutan-2-yl)phenol.
What is the SMILES notation for 4-(4-dimethoxyphosphoryl-2-methylbutan-2-yl)phenol?
The canonical SMILES for 4-(4-dimethoxyphosphoryl-2-methylbutan-2-yl)phenol is COP(=O)(CCC(C)(C)c1ccc(O)cc1)OC.
What is the InChIKey of 4-(4-dimethoxyphosphoryl-2-methylbutan-2-yl)phenol?
The InChIKey is AYDAPUIAVCFXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O4P/c1-13(2,9-10-18(15,16-3)17-4)11-5-7-12(14)8-6-11/h5-8,14H,9-10H2,1-4H3.
What are the key properties of 4-(4-dimethoxyphosphoryl-2-methylbutan-2-yl)phenol?
4-(4-dimethoxyphosphoryl-2-methylbutan-2-yl)phenol has a molecular weight of 272.28 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dimethoxyphosphoryl-2-methylbutan-2-yl)phenol is sourced from PubChem (CID 19864965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).