[2-[(2-methoxyphenyl)methyl]phenyl]-[1-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylpropan-2-yl]phosphane

C31H34O2P2 — CID 88782137

IUPAC[2-[(2-methoxyphenyl)methyl]phenyl]-[1-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylpropan-2-yl]phosphane
SMILESCOc1ccccc1Cc1ccccc1PCC(C)Pc1ccccc1Cc1ccccc1OC
InChIInChI=1S/C31H34O2P2/c1-23(35-31-19-11-7-15-27(31)21-25-13-5-9-17-29(25)33-3)22-34-30-18-10-6-14-26(30)20-24-12-4-8-16-28(24)32-2/h4-19,23,34-35H,20-22H2,1-3H3
InChIKeyKYGNALWTWSTUHV-UHFFFAOYSA-N
MW500.56 g/mol
LogP6.58
Rot. Bonds11

About [2-[(2-methoxyphenyl)methyl]phenyl]-[1-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylpropan-2-yl]phosphane

[2-[(2-methoxyphenyl)methyl]phenyl]-[1-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylpropan-2-yl]phosphane (PubChem CID 88782137) has the molecular formula C31H34O2P2 and a molecular weight of 500.56 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methyl]phenyl]-[1-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylpropan-2-yl]phosphane.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methyl]phenyl]-[1-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylpropan-2-yl]phosphane
PubChem CID88782137
Molecular FormulaC31H34O2P2
Molecular Weight500.56 g/mol
Exact Mass500.20
IUPAC Name[2-[(2-methoxyphenyl)methyl]phenyl]-[1-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylpropan-2-yl]phosphane
SMILESCOc1ccccc1Cc1ccccc1PCC(C)Pc1ccccc1Cc1ccccc1OC
InChIInChI=1S/C31H34O2P2/c1-23(35-31-19-11-7-15-27(31)21-25-13-5-9-17-29(25)33-3)22-34-30-18-10-6-14-26(30)20-24-12-4-8-16-28(24)32-2/h4-19,23,34-35H,20-22H2,1-3H3
InChIKeyKYGNALWTWSTUHV-UHFFFAOYSA-N
XLogP6.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.56
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2-methoxyphenyl)methyl]phenyl]-[1-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylethyl]phosphane
CID 87508695
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
[2-[(2-methoxyphenyl)methyl]phenyl]methylphosphane
CID 69335207
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
[(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium
CID 7432380
1-(2-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61066103
[3-tert-butyl-2-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylphenyl]methanol
CID 71212775
1,1-dimethoxy-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 106259984
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438
ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene
CID 154665730
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methyl]phenyl]-[1-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylpropan-2-yl]phosphane?
The IUPAC name of [2-[(2-methoxyphenyl)methyl]phenyl]-[1-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylpropan-2-yl]phosphane (CID 88782137) is [2-[(2-methoxyphenyl)methyl]phenyl]-[1-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylpropan-2-yl]phosphane.
What is the SMILES notation for [2-[(2-methoxyphenyl)methyl]phenyl]-[1-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylpropan-2-yl]phosphane?
The canonical SMILES for [2-[(2-methoxyphenyl)methyl]phenyl]-[1-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylpropan-2-yl]phosphane is COc1ccccc1Cc1ccccc1PCC(C)Pc1ccccc1Cc1ccccc1OC.
What is the InChIKey of [2-[(2-methoxyphenyl)methyl]phenyl]-[1-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylpropan-2-yl]phosphane?
The InChIKey is KYGNALWTWSTUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34O2P2/c1-23(35-31-19-11-7-15-27(31)21-25-13-5-9-17-29(25)33-3)22-34-30-18-10-6-14-26(30)20-24-12-4-8-16-28(24)32-2/h4-19,23,34-35H,20-22H2,1-3H3.
What are the key properties of [2-[(2-methoxyphenyl)methyl]phenyl]-[1-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylpropan-2-yl]phosphane?
[2-[(2-methoxyphenyl)methyl]phenyl]-[1-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylpropan-2-yl]phosphane has a molecular weight of 500.56 g/mol, XLogP of 6.58, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methyl]phenyl]-[1-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylpropan-2-yl]phosphane is sourced from PubChem (CID 88782137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).