tris(4-methoxy-3,5-dimethylphenyl)phosphane

C27H33O3P — CID 4642096

IUPACtris(4-methoxy-3,5-dimethylphenyl)phosphane
SMILESCOc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C
InChIInChI=1S/C27H33O3P/c1-16-10-22(11-17(2)25(16)28-7)31(23-12-18(3)26(29-8)19(4)13-23)24-14-20(5)27(30-9)21(6)15-24/h10-15H,1-9H3
InChIKeyBDGUINGZRGNLPD-UHFFFAOYSA-N
MW436.53 g/mol
LogP5.32
Rot. Bonds6

About tris(4-methoxy-3,5-dimethylphenyl)phosphane

tris(4-methoxy-3,5-dimethylphenyl)phosphane (PubChem CID 4642096) has the molecular formula C27H33O3P and a molecular weight of 436.53 g/mol. Its IUPAC name is tris(4-methoxy-3,5-dimethylphenyl)phosphane.

Molecular Properties

Compound Nametris(4-methoxy-3,5-dimethylphenyl)phosphane
PubChem CID4642096
Molecular FormulaC27H33O3P
Molecular Weight436.53 g/mol
Exact Mass436.22
IUPAC Nametris(4-methoxy-3,5-dimethylphenyl)phosphane
SMILESCOc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C
InChIInChI=1S/C27H33O3P/c1-16-10-22(11-17(2)25(16)28-7)31(23-12-18(3)26(29-8)19(4)13-23)24-14-20(5)27(30-9)21(6)15-24/h10-15H,1-9H3
InChIKeyBDGUINGZRGNLPD-UHFFFAOYSA-N
XLogP5.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.53
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(4-methoxy-3,5-dimethylphenyl)phosphane?
The IUPAC name of tris(4-methoxy-3,5-dimethylphenyl)phosphane (CID 4642096) is tris(4-methoxy-3,5-dimethylphenyl)phosphane.
What is the SMILES notation for tris(4-methoxy-3,5-dimethylphenyl)phosphane?
The canonical SMILES for tris(4-methoxy-3,5-dimethylphenyl)phosphane is COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C.
What is the InChIKey of tris(4-methoxy-3,5-dimethylphenyl)phosphane?
The InChIKey is BDGUINGZRGNLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33O3P/c1-16-10-22(11-17(2)25(16)28-7)31(23-12-18(3)26(29-8)19(4)13-23)24-14-20(5)27(30-9)21(6)15-24/h10-15H,1-9H3.
What are the key properties of tris(4-methoxy-3,5-dimethylphenyl)phosphane?
tris(4-methoxy-3,5-dimethylphenyl)phosphane has a molecular weight of 436.53 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-methoxy-3,5-dimethylphenyl)phosphane is sourced from PubChem (CID 4642096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).