[3-bis(2-methoxyphenyl)phosphanyl-2-phenylmethoxypropyl]-bis(2-methoxyphenyl)phosphane

C38H40O5P2 — CID 18929305

IUPAC[3-bis(2-methoxyphenyl)phosphanyl-2-phenylmethoxypropyl]-bis(2-methoxyphenyl)phosphane
SMILESCOc1ccccc1P(CC(CP(c1ccccc1OC)c1ccccc1OC)OCc1ccccc1)c1ccccc1OC
InChIInChI=1S/C38H40O5P2/c1-39-31-18-8-12-22-35(31)44(36-23-13-9-19-32(36)40-2)27-30(43-26-29-16-6-5-7-17-29)28-45(37-24-14-10-20-33(37)41-3)38-25-15-11-21-34(38)42-4/h5-25,30H,26-28H2,1-4H3
InChIKeyCVTBEWNXYIMNBC-UHFFFAOYSA-N
MW638.68 g/mol
LogP6.87
Rot. Bonds15

About [3-bis(2-methoxyphenyl)phosphanyl-2-phenylmethoxypropyl]-bis(2-methoxyphenyl)phosphane

[3-bis(2-methoxyphenyl)phosphanyl-2-phenylmethoxypropyl]-bis(2-methoxyphenyl)phosphane (PubChem CID 18929305) has the molecular formula C38H40O5P2 and a molecular weight of 638.68 g/mol. Its IUPAC name is [3-bis(2-methoxyphenyl)phosphanyl-2-phenylmethoxypropyl]-bis(2-methoxyphenyl)phosphane.

Molecular Properties

Compound Name[3-bis(2-methoxyphenyl)phosphanyl-2-phenylmethoxypropyl]-bis(2-methoxyphenyl)phosphane
PubChem CID18929305
Molecular FormulaC38H40O5P2
Molecular Weight638.68 g/mol
Exact Mass638.24
IUPAC Name[3-bis(2-methoxyphenyl)phosphanyl-2-phenylmethoxypropyl]-bis(2-methoxyphenyl)phosphane
SMILESCOc1ccccc1P(CC(CP(c1ccccc1OC)c1ccccc1OC)OCc1ccccc1)c1ccccc1OC
InChIInChI=1S/C38H40O5P2/c1-39-31-18-8-12-22-35(31)44(36-23-13-9-19-32(36)40-2)27-30(43-26-29-16-6-5-7-17-29)28-45(37-24-14-10-20-33(37)41-3)38-25-15-11-21-34(38)42-4/h5-25,30H,26-28H2,1-4H3
InChIKeyCVTBEWNXYIMNBC-UHFFFAOYSA-N
XLogP6.87
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.68
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bis(2-methoxyphenyl)phosphanylethyl-(2-methoxyphenyl)phosphanyl]phenol
CID 12057041
1,3-dichloropropan-2-yloxymethylbenzene
CID 5155009
(2-methoxyphenyl)-[2-[(2-methoxyphenyl)-methylphosphanyl]ethyl]-phenylphosphane
CID 72586842
methoxymethylbenzene;silane
CID 174277199
hexan-3-yloxymethylbenzene
CID 20782034
[methoxy-[methoxy(phenylmethoxy)methoxy]methoxy]methylbenzene
CID 57002488
butan-2-yloxymethylbenzene;ethane
CID 161043537
3-methoxy-N-methyl-2-phenylmethoxypropan-1-amine
CID 103227745
1-methyl-4-(1-phenylmethoxyethyl)benzene
CID 135034119
[2-[[2-di(propan-2-yl)phosphanylphenyl]-(2-methoxyphenyl)methyl]phenyl]-di(propan-2-yl)phosphane
CID 139112665
2-methoxy-2-phenylmethoxyacetaldehyde
CID 87601586
[2-[2-[(2-methoxyphenyl)-phenylphosphanyl]ethyl-phenylphosphanyl]phenyl]methanol
CID 140578205

Frequently Asked Questions

What is the IUPAC name of [3-bis(2-methoxyphenyl)phosphanyl-2-phenylmethoxypropyl]-bis(2-methoxyphenyl)phosphane?
The IUPAC name of [3-bis(2-methoxyphenyl)phosphanyl-2-phenylmethoxypropyl]-bis(2-methoxyphenyl)phosphane (CID 18929305) is [3-bis(2-methoxyphenyl)phosphanyl-2-phenylmethoxypropyl]-bis(2-methoxyphenyl)phosphane.
What is the SMILES notation for [3-bis(2-methoxyphenyl)phosphanyl-2-phenylmethoxypropyl]-bis(2-methoxyphenyl)phosphane?
The canonical SMILES for [3-bis(2-methoxyphenyl)phosphanyl-2-phenylmethoxypropyl]-bis(2-methoxyphenyl)phosphane is COc1ccccc1P(CC(CP(c1ccccc1OC)c1ccccc1OC)OCc1ccccc1)c1ccccc1OC.
What is the InChIKey of [3-bis(2-methoxyphenyl)phosphanyl-2-phenylmethoxypropyl]-bis(2-methoxyphenyl)phosphane?
The InChIKey is CVTBEWNXYIMNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40O5P2/c1-39-31-18-8-12-22-35(31)44(36-23-13-9-19-32(36)40-2)27-30(43-26-29-16-6-5-7-17-29)28-45(37-24-14-10-20-33(37)41-3)38-25-15-11-21-34(38)42-4/h5-25,30H,26-28H2,1-4H3.
What are the key properties of [3-bis(2-methoxyphenyl)phosphanyl-2-phenylmethoxypropyl]-bis(2-methoxyphenyl)phosphane?
[3-bis(2-methoxyphenyl)phosphanyl-2-phenylmethoxypropyl]-bis(2-methoxyphenyl)phosphane has a molecular weight of 638.68 g/mol, XLogP of 6.87, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bis(2-methoxyphenyl)phosphanyl-2-phenylmethoxypropyl]-bis(2-methoxyphenyl)phosphane is sourced from PubChem (CID 18929305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).