2-(3,5-dimethoxy-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane

C20H27O3P — CID 71039658

IUPAC2-(3,5-dimethoxy-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane
SMILESCCC(C)(PC)c1cc(OC)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C20H27O3P/c1-6-20(2,24-5)17-12-16(21-3)13-18(22-4)19(17)23-14-15-10-8-7-9-11-15/h7-13,24H,6,14H2,1-5H3
InChIKeyNJANWPLUSVFRIY-UHFFFAOYSA-N
MW346.41 g/mol
LogP5.22
Rot. Bonds8

About 2-(3,5-dimethoxy-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane

2-(3,5-dimethoxy-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane (PubChem CID 71039658) has the molecular formula C20H27O3P and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-(3,5-dimethoxy-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane.

Molecular Properties

Compound Name2-(3,5-dimethoxy-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane
PubChem CID71039658
Molecular FormulaC20H27O3P
Molecular Weight346.41 g/mol
Exact Mass346.17
IUPAC Name2-(3,5-dimethoxy-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane
SMILESCCC(C)(PC)c1cc(OC)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C20H27O3P/c1-6-20(2,24-5)17-12-16(21-3)13-18(22-4)19(17)23-14-15-10-8-7-9-11-15/h7-13,24H,6,14H2,1-5H3
InChIKeyNJANWPLUSVFRIY-UHFFFAOYSA-N
XLogP5.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 55.22
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

1-[2-[3-(3,5-dimethoxy-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]phenyl]ethanone
CID 71191558
2-(5-benzyl-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane
CID 71039912
1-[2-[2-(3,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ylphosphanyl]-5-fluorophenyl]-N,N-dimethylmethanamine
CID 163816848
2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde
CID 88969071
(3,5-dimethoxy-4-phenylmethoxyphenoxy)boronic acid
CID 22933086
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
2,5-dimethoxy-3-phenylmethoxyaniline
CID 168869511
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203
2,5,8-trimethoxy-1-phenylmethoxynaphthalene
CID 132576199
2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
CID 11186357
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
(5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid
CID 164896021

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxy-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane?
The IUPAC name of 2-(3,5-dimethoxy-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane (CID 71039658) is 2-(3,5-dimethoxy-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane.
What is the SMILES notation for 2-(3,5-dimethoxy-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane?
The canonical SMILES for 2-(3,5-dimethoxy-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane is CCC(C)(PC)c1cc(OC)cc(OC)c1OCc1ccccc1.
What is the InChIKey of 2-(3,5-dimethoxy-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane?
The InChIKey is NJANWPLUSVFRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27O3P/c1-6-20(2,24-5)17-12-16(21-3)13-18(22-4)19(17)23-14-15-10-8-7-9-11-15/h7-13,24H,6,14H2,1-5H3.
What are the key properties of 2-(3,5-dimethoxy-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane?
2-(3,5-dimethoxy-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane has a molecular weight of 346.41 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxy-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane is sourced from PubChem (CID 71039658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).