[(2S,3S)-3-bis(4-methoxyphenyl)phosphanylbutan-2-yl]-bis(4-methoxyphenyl)phosphane

C32H36O4P2 — CID 102263454

IUPAC[(2S,3S)-3-bis(4-methoxyphenyl)phosphanylbutan-2-yl]-bis(4-methoxyphenyl)phosphane
SMILESCOc1ccc(P(c2ccc(OC)cc2)[C@@H](C)[C@H](C)P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H36O4P2/c1-23(37(29-15-7-25(33-3)8-16-29)30-17-9-26(34-4)10-18-30)24(2)38(31-19-11-27(35-5)12-20-31)32-21-13-28(36-6)14-22-32/h7-24H,1-6H3/t23-,24-/m0/s1
InChIKeyCKZNAUFKTLXYPH-ZEQRLZLVSA-N
MW546.58 g/mol
LogP6.06
Rot. Bonds11

About [(2S,3S)-3-bis(4-methoxyphenyl)phosphanylbutan-2-yl]-bis(4-methoxyphenyl)phosphane

[(2S,3S)-3-bis(4-methoxyphenyl)phosphanylbutan-2-yl]-bis(4-methoxyphenyl)phosphane (PubChem CID 102263454) has the molecular formula C32H36O4P2 and a molecular weight of 546.58 g/mol. Its IUPAC name is [(2S,3S)-3-bis(4-methoxyphenyl)phosphanylbutan-2-yl]-bis(4-methoxyphenyl)phosphane.

Molecular Properties

Compound Name[(2S,3S)-3-bis(4-methoxyphenyl)phosphanylbutan-2-yl]-bis(4-methoxyphenyl)phosphane
PubChem CID102263454
Molecular FormulaC32H36O4P2
Molecular Weight546.58 g/mol
Exact Mass546.21
IUPAC Name[(2S,3S)-3-bis(4-methoxyphenyl)phosphanylbutan-2-yl]-bis(4-methoxyphenyl)phosphane
SMILESCOc1ccc(P(c2ccc(OC)cc2)[C@@H](C)[C@H](C)P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H36O4P2/c1-23(37(29-15-7-25(33-3)8-16-29)30-17-9-26(34-4)10-18-30)24(2)38(31-19-11-27(35-5)12-20-31)32-21-13-28(36-6)14-22-32/h7-24H,1-6H3/t23-,24-/m0/s1
InChIKeyCKZNAUFKTLXYPH-ZEQRLZLVSA-N
XLogP6.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.58
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(4-methoxyphenyl)phosphanylboranuide
CID 158317983
nickel;tetrakis(tris(4-methoxyphenyl)phosphane)
CID 161091437
chloro-(4-methoxyphenyl)-methylphosphane
CID 18780199
bromo-(4-methoxyphenyl)-(2-methylpropyl)phosphane
CID 175546536
methoxy-bis(4-methoxyphenyl)phosphane;hydrobromide
CID 175052156
dichlororuthenium;tris(4-methoxyphenyl)phosphane
CID 134991883
(4-methoxyphenyl)silane
CID 100998160
1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene
CID 61085205
[2-bis(4-methoxyphenyl)phosphanylphenyl]-bis(4-methoxyphenyl)phosphane
CID 87320481
(4-methoxyphenyl)methanedithiol
CID 19893185
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
1-[4-(4-methoxyphenyl)phenoxy]ethanol
CID 19939691

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-bis(4-methoxyphenyl)phosphanylbutan-2-yl]-bis(4-methoxyphenyl)phosphane?
The IUPAC name of [(2S,3S)-3-bis(4-methoxyphenyl)phosphanylbutan-2-yl]-bis(4-methoxyphenyl)phosphane (CID 102263454) is [(2S,3S)-3-bis(4-methoxyphenyl)phosphanylbutan-2-yl]-bis(4-methoxyphenyl)phosphane.
What is the SMILES notation for [(2S,3S)-3-bis(4-methoxyphenyl)phosphanylbutan-2-yl]-bis(4-methoxyphenyl)phosphane?
The canonical SMILES for [(2S,3S)-3-bis(4-methoxyphenyl)phosphanylbutan-2-yl]-bis(4-methoxyphenyl)phosphane is COc1ccc(P(c2ccc(OC)cc2)[C@@H](C)[C@H](C)P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [(2S,3S)-3-bis(4-methoxyphenyl)phosphanylbutan-2-yl]-bis(4-methoxyphenyl)phosphane?
The InChIKey is CKZNAUFKTLXYPH-ZEQRLZLVSA-N. The full InChI is InChI=1S/C32H36O4P2/c1-23(37(29-15-7-25(33-3)8-16-29)30-17-9-26(34-4)10-18-30)24(2)38(31-19-11-27(35-5)12-20-31)32-21-13-28(36-6)14-22-32/h7-24H,1-6H3/t23-,24-/m0/s1.
What are the key properties of [(2S,3S)-3-bis(4-methoxyphenyl)phosphanylbutan-2-yl]-bis(4-methoxyphenyl)phosphane?
[(2S,3S)-3-bis(4-methoxyphenyl)phosphanylbutan-2-yl]-bis(4-methoxyphenyl)phosphane has a molecular weight of 546.58 g/mol, XLogP of 6.06, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-bis(4-methoxyphenyl)phosphanylbutan-2-yl]-bis(4-methoxyphenyl)phosphane is sourced from PubChem (CID 102263454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).