(4-methoxyphenoxy)-[2-[2-(4-methoxyphenoxy)phosphanyloxy-6-methyl-3,5-di(propan-2-yl)phenyl]-3-methyl-4,6-di(propan-2-yl)phenoxy]phosphane

C40H52O6P2 — CID 20688077

IUPAC(4-methoxyphenoxy)-[2-[2-(4-methoxyphenoxy)phosphanyloxy-6-methyl-3,5-di(propan-2-yl)phenyl]-3-methyl-4,6-di(propan-2-yl)phenoxy]phosphane
SMILESCOc1ccc(OPOc2c(C(C)C)cc(C(C)C)c(C)c2-c2c(C)c(C(C)C)cc(C(C)C)c2OPOc2ccc(OC)cc2)cc1
InChIInChI=1S/C40H52O6P2/c1-23(2)33-21-35(25(5)6)39(45-47-43-31-17-13-29(41-11)14-18-31)37(27(33)9)38-28(10)34(24(3)4)22-36(26(7)8)40(38)46-48-44-32-19-15-30(42-12)16-20-32/h13-26,47-48H,1-12H3
InChIKeyGQAHEVTYCCGFOD-UHFFFAOYSA-N
MW690.80 g/mol
LogP12.41
Rot. Bonds15

About (4-methoxyphenoxy)-[2-[2-(4-methoxyphenoxy)phosphanyloxy-6-methyl-3,5-di(propan-2-yl)phenyl]-3-methyl-4,6-di(propan-2-yl)phenoxy]phosphane

(4-methoxyphenoxy)-[2-[2-(4-methoxyphenoxy)phosphanyloxy-6-methyl-3,5-di(propan-2-yl)phenyl]-3-methyl-4,6-di(propan-2-yl)phenoxy]phosphane (PubChem CID 20688077) has the molecular formula C40H52O6P2 and a molecular weight of 690.80 g/mol. Its IUPAC name is (4-methoxyphenoxy)-[2-[2-(4-methoxyphenoxy)phosphanyloxy-6-methyl-3,5-di(propan-2-yl)phenyl]-3-methyl-4,6-di(propan-2-yl)phenoxy]phosphane.

Molecular Properties

Compound Name(4-methoxyphenoxy)-[2-[2-(4-methoxyphenoxy)phosphanyloxy-6-methyl-3,5-di(propan-2-yl)phenyl]-3-methyl-4,6-di(propan-2-yl)phenoxy]phosphane
PubChem CID20688077
Molecular FormulaC40H52O6P2
Molecular Weight690.80 g/mol
Exact Mass690.32
IUPAC Name(4-methoxyphenoxy)-[2-[2-(4-methoxyphenoxy)phosphanyloxy-6-methyl-3,5-di(propan-2-yl)phenyl]-3-methyl-4,6-di(propan-2-yl)phenoxy]phosphane
SMILESCOc1ccc(OPOc2c(C(C)C)cc(C(C)C)c(C)c2-c2c(C)c(C(C)C)cc(C(C)C)c2OPOc2ccc(OC)cc2)cc1
InChIInChI=1S/C40H52O6P2/c1-23(2)33-21-35(25(5)6)39(45-47-43-31-17-13-29(41-11)14-18-31)37(27(33)9)38-28(10)34(24(3)4)22-36(26(7)8)40(38)46-48-44-32-19-15-30(42-12)16-20-32/h13-26,47-48H,1-12H3
InChIKeyGQAHEVTYCCGFOD-UHFFFAOYSA-N
XLogP12.41
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.80
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-methoxyphenoxy)-[2-[2-(4-methoxyphenoxy)phosphanyloxy-6-methyl-3,5-di(propan-2-yl)phenyl]-3-methyl-4,6-di(propan-2-yl)phenoxy]phosphane?
The IUPAC name of (4-methoxyphenoxy)-[2-[2-(4-methoxyphenoxy)phosphanyloxy-6-methyl-3,5-di(propan-2-yl)phenyl]-3-methyl-4,6-di(propan-2-yl)phenoxy]phosphane (CID 20688077) is (4-methoxyphenoxy)-[2-[2-(4-methoxyphenoxy)phosphanyloxy-6-methyl-3,5-di(propan-2-yl)phenyl]-3-methyl-4,6-di(propan-2-yl)phenoxy]phosphane.
What is the SMILES notation for (4-methoxyphenoxy)-[2-[2-(4-methoxyphenoxy)phosphanyloxy-6-methyl-3,5-di(propan-2-yl)phenyl]-3-methyl-4,6-di(propan-2-yl)phenoxy]phosphane?
The canonical SMILES for (4-methoxyphenoxy)-[2-[2-(4-methoxyphenoxy)phosphanyloxy-6-methyl-3,5-di(propan-2-yl)phenyl]-3-methyl-4,6-di(propan-2-yl)phenoxy]phosphane is COc1ccc(OPOc2c(C(C)C)cc(C(C)C)c(C)c2-c2c(C)c(C(C)C)cc(C(C)C)c2OPOc2ccc(OC)cc2)cc1.
What is the InChIKey of (4-methoxyphenoxy)-[2-[2-(4-methoxyphenoxy)phosphanyloxy-6-methyl-3,5-di(propan-2-yl)phenyl]-3-methyl-4,6-di(propan-2-yl)phenoxy]phosphane?
The InChIKey is GQAHEVTYCCGFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H52O6P2/c1-23(2)33-21-35(25(5)6)39(45-47-43-31-17-13-29(41-11)14-18-31)37(27(33)9)38-28(10)34(24(3)4)22-36(26(7)8)40(38)46-48-44-32-19-15-30(42-12)16-20-32/h13-26,47-48H,1-12H3.
What are the key properties of (4-methoxyphenoxy)-[2-[2-(4-methoxyphenoxy)phosphanyloxy-6-methyl-3,5-di(propan-2-yl)phenyl]-3-methyl-4,6-di(propan-2-yl)phenoxy]phosphane?
(4-methoxyphenoxy)-[2-[2-(4-methoxyphenoxy)phosphanyloxy-6-methyl-3,5-di(propan-2-yl)phenyl]-3-methyl-4,6-di(propan-2-yl)phenoxy]phosphane has a molecular weight of 690.80 g/mol, XLogP of 12.41, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenoxy)-[2-[2-(4-methoxyphenoxy)phosphanyloxy-6-methyl-3,5-di(propan-2-yl)phenyl]-3-methyl-4,6-di(propan-2-yl)phenoxy]phosphane is sourced from PubChem (CID 20688077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).