3-(2,4,6-trimethoxyphenyl)hexan-3-ylphosphane

C15H25O3P — CID 166753423

IUPAC3-(2,4,6-trimethoxyphenyl)hexan-3-ylphosphane
SMILESCCCC(P)(CC)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C15H25O3P/c1-6-8-15(19,7-2)14-12(17-4)9-11(16-3)10-13(14)18-5/h9-10H,6-8,19H2,1-5H3
InChIKeyDPUZSJFUWBEFJA-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.99
Rot. Bonds7

About 3-(2,4,6-trimethoxyphenyl)hexan-3-ylphosphane

3-(2,4,6-trimethoxyphenyl)hexan-3-ylphosphane (PubChem CID 166753423) has the molecular formula C15H25O3P and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-(2,4,6-trimethoxyphenyl)hexan-3-ylphosphane.

Molecular Properties

Compound Name3-(2,4,6-trimethoxyphenyl)hexan-3-ylphosphane
PubChem CID166753423
Molecular FormulaC15H25O3P
Molecular Weight284.34 g/mol
Exact Mass284.15
IUPAC Name3-(2,4,6-trimethoxyphenyl)hexan-3-ylphosphane
SMILESCCCC(P)(CC)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C15H25O3P/c1-6-8-15(19,7-2)14-12(17-4)9-11(16-3)10-13(14)18-5/h9-10H,6-8,19H2,1-5H3
InChIKeyDPUZSJFUWBEFJA-UHFFFAOYSA-N
XLogP3.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene
CID 116841570
2-(2,4,6-trimethoxyphenyl)propane-1,2-diamine
CID 116855607
(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol
CID 97048528
4,4-difluoro-4-(2,4,6-trimethoxyphenyl)butanoic acid
CID 28745556
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 62801453
2-hexoxy-1,3,5-trimethoxybenzene
CID 54146903
methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate
CID 116963092
3,5-dimethoxy-2-propylaniline
CID 141261453
2-(1-bromopropyl)-1,3,5-trimethoxybenzene
CID 61098697
2-(iodomethyl)-1,3,5-trimethoxybenzene
CID 10946751
methyl-[2-(2,3,5-trimethoxyphenyl)butan-2-yl]phosphane
CID 71040141

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trimethoxyphenyl)hexan-3-ylphosphane?
The IUPAC name of 3-(2,4,6-trimethoxyphenyl)hexan-3-ylphosphane (CID 166753423) is 3-(2,4,6-trimethoxyphenyl)hexan-3-ylphosphane.
What is the SMILES notation for 3-(2,4,6-trimethoxyphenyl)hexan-3-ylphosphane?
The canonical SMILES for 3-(2,4,6-trimethoxyphenyl)hexan-3-ylphosphane is CCCC(P)(CC)c1c(OC)cc(OC)cc1OC.
What is the InChIKey of 3-(2,4,6-trimethoxyphenyl)hexan-3-ylphosphane?
The InChIKey is DPUZSJFUWBEFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O3P/c1-6-8-15(19,7-2)14-12(17-4)9-11(16-3)10-13(14)18-5/h9-10H,6-8,19H2,1-5H3.
What are the key properties of 3-(2,4,6-trimethoxyphenyl)hexan-3-ylphosphane?
3-(2,4,6-trimethoxyphenyl)hexan-3-ylphosphane has a molecular weight of 284.34 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trimethoxyphenyl)hexan-3-ylphosphane is sourced from PubChem (CID 166753423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).