4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-dimethoxyphenol

C22H38O9P2 — CID 10164403

IUPAC4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-dimethoxyphenol
SMILESCOc1cc(C=C(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(OC)c1O
InChIInChI=1S/C22H38O9P2/c1-14(2)28-32(24,29-15(3)4)21(33(25,30-16(5)6)31-17(7)8)13-18-11-19(26-9)22(23)20(12-18)27-10/h11-17,23H,1-10H3
InChIKeyBTHSLJFPSCOVJZ-UHFFFAOYSA-N
MW508.49 g/mol
LogP6.79
Rot. Bonds13

About 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-dimethoxyphenol

4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-dimethoxyphenol (PubChem CID 10164403) has the molecular formula C22H38O9P2 and a molecular weight of 508.49 g/mol. Its IUPAC name is 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-dimethoxyphenol
PubChem CID10164403
Molecular FormulaC22H38O9P2
Molecular Weight508.49 g/mol
Exact Mass508.20
IUPAC Name4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-dimethoxyphenol
SMILESCOc1cc(C=C(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(OC)c1O
InChIInChI=1S/C22H38O9P2/c1-14(2)28-32(24,29-15(3)4)21(33(25,30-16(5)6)31-17(7)8)13-18-11-19(26-9)22(23)20(12-18)27-10/h11-17,23H,1-10H3
InChIKeyBTHSLJFPSCOVJZ-UHFFFAOYSA-N
XLogP6.79
TPSA109.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.49
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-dimethoxyphenol (CID 10164403) is 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-dimethoxyphenol is COc1cc(C=C(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)cc(OC)c1O.
What is the InChIKey of 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-dimethoxyphenol?
The InChIKey is BTHSLJFPSCOVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O9P2/c1-14(2)28-32(24,29-15(3)4)21(33(25,30-16(5)6)31-17(7)8)13-18-11-19(26-9)22(23)20(12-18)27-10/h11-17,23H,1-10H3.
What are the key properties of 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-dimethoxyphenol?
4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-dimethoxyphenol has a molecular weight of 508.49 g/mol, XLogP of 6.79, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 10164403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).