(3,5-dimethylphenyl)-[2-[2-[2-(3,5-dimethylphenyl)propan-2-ylphosphanyl]-6-methoxyphenyl]-3-methoxyphenyl]phosphane

C33H38O2P2 — CID 142525801

IUPAC(3,5-dimethylphenyl)-[2-[2-[2-(3,5-dimethylphenyl)propan-2-ylphosphanyl]-6-methoxyphenyl]-3-methoxyphenyl]phosphane
SMILESCOc1cccc(Pc2cc(C)cc(C)c2)c1-c1c(OC)cccc1PC(C)(C)c1cc(C)cc(C)c1
InChIInChI=1S/C33H38O2P2/c1-21-15-22(2)18-25(17-21)33(5,6)37-30-14-10-12-28(35-8)32(30)31-27(34-7)11-9-13-29(31)36-26-19-23(3)16-24(4)20-26/h9-20,36-37H,1-8H3
InChIKeyRYCPPQCZNOQHTK-UHFFFAOYSA-N
MW528.61 g/mol
LogP7.47
Rot. Bonds8

About (3,5-dimethylphenyl)-[2-[2-[2-(3,5-dimethylphenyl)propan-2-ylphosphanyl]-6-methoxyphenyl]-3-methoxyphenyl]phosphane

(3,5-dimethylphenyl)-[2-[2-[2-(3,5-dimethylphenyl)propan-2-ylphosphanyl]-6-methoxyphenyl]-3-methoxyphenyl]phosphane (PubChem CID 142525801) has the molecular formula C33H38O2P2 and a molecular weight of 528.61 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-[2-[2-[2-(3,5-dimethylphenyl)propan-2-ylphosphanyl]-6-methoxyphenyl]-3-methoxyphenyl]phosphane.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-[2-[2-[2-(3,5-dimethylphenyl)propan-2-ylphosphanyl]-6-methoxyphenyl]-3-methoxyphenyl]phosphane
PubChem CID142525801
Molecular FormulaC33H38O2P2
Molecular Weight528.61 g/mol
Exact Mass528.23
IUPAC Name(3,5-dimethylphenyl)-[2-[2-[2-(3,5-dimethylphenyl)propan-2-ylphosphanyl]-6-methoxyphenyl]-3-methoxyphenyl]phosphane
SMILESCOc1cccc(Pc2cc(C)cc(C)c2)c1-c1c(OC)cccc1PC(C)(C)c1cc(C)cc(C)c1
InChIInChI=1S/C33H38O2P2/c1-21-15-22(2)18-25(17-21)33(5,6)37-30-14-10-12-28(35-8)32(30)31-27(34-7)11-9-13-29(31)36-26-19-23(3)16-24(4)20-26/h9-20,36-37H,1-8H3
InChIKeyRYCPPQCZNOQHTK-UHFFFAOYSA-N
XLogP7.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.61
LogP ≤ 57.47
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

(3,5-dimethylphenyl)-[3-methoxy-2-(2-methoxyphenyl)phenyl]phosphane;ethane;(2E)-1-methyl-2-propylidenecyclopropane;phosphane
CID 144514518
[3,5-bis(trifluoromethyl)phenyl]-(2-methoxyphenyl)phosphane
CID 140618175
bis(3,5-dimethylphenyl)phosphane;bis(2-methoxyphenyl)phosphane;bis(4-methylphenyl)phosphane;bis(2,4,6-trimethylphenyl)phosphane
CID 160804769
(2-methoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 174858055
bis(2-methoxyphenyl)phosphane
CID 11679785
2-(4-tert-butylphenyl)-1-methoxy-3-methylbenzene
CID 143940688
lithium;hydride;(2-methoxyphenyl)-phenylphosphane
CID 175008654
3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid
CID 116810858
(3,5-dimethylphenyl)-phenylphosphane
CID 22961936
[2-[2-bis(3,5-dimethylphenyl)phosphaniumyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-dimethylphenyl)phosphanium;ruthenium(2+);diacetate
CID 138115063
(2,3-dimethylphenyl)-(2-methoxyphenyl)phosphane
CID 174776553
1-(2-methoxy-4,6-dimethylphenyl)-1-(3-methylphenyl)ethanol
CID 106679488

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-[2-[2-[2-(3,5-dimethylphenyl)propan-2-ylphosphanyl]-6-methoxyphenyl]-3-methoxyphenyl]phosphane?
The IUPAC name of (3,5-dimethylphenyl)-[2-[2-[2-(3,5-dimethylphenyl)propan-2-ylphosphanyl]-6-methoxyphenyl]-3-methoxyphenyl]phosphane (CID 142525801) is (3,5-dimethylphenyl)-[2-[2-[2-(3,5-dimethylphenyl)propan-2-ylphosphanyl]-6-methoxyphenyl]-3-methoxyphenyl]phosphane.
What is the SMILES notation for (3,5-dimethylphenyl)-[2-[2-[2-(3,5-dimethylphenyl)propan-2-ylphosphanyl]-6-methoxyphenyl]-3-methoxyphenyl]phosphane?
The canonical SMILES for (3,5-dimethylphenyl)-[2-[2-[2-(3,5-dimethylphenyl)propan-2-ylphosphanyl]-6-methoxyphenyl]-3-methoxyphenyl]phosphane is COc1cccc(Pc2cc(C)cc(C)c2)c1-c1c(OC)cccc1PC(C)(C)c1cc(C)cc(C)c1.
What is the InChIKey of (3,5-dimethylphenyl)-[2-[2-[2-(3,5-dimethylphenyl)propan-2-ylphosphanyl]-6-methoxyphenyl]-3-methoxyphenyl]phosphane?
The InChIKey is RYCPPQCZNOQHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38O2P2/c1-21-15-22(2)18-25(17-21)33(5,6)37-30-14-10-12-28(35-8)32(30)31-27(34-7)11-9-13-29(31)36-26-19-23(3)16-24(4)20-26/h9-20,36-37H,1-8H3.
What are the key properties of (3,5-dimethylphenyl)-[2-[2-[2-(3,5-dimethylphenyl)propan-2-ylphosphanyl]-6-methoxyphenyl]-3-methoxyphenyl]phosphane?
(3,5-dimethylphenyl)-[2-[2-[2-(3,5-dimethylphenyl)propan-2-ylphosphanyl]-6-methoxyphenyl]-3-methoxyphenyl]phosphane has a molecular weight of 528.61 g/mol, XLogP of 7.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-[2-[2-[2-(3,5-dimethylphenyl)propan-2-ylphosphanyl]-6-methoxyphenyl]-3-methoxyphenyl]phosphane is sourced from PubChem (CID 142525801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).