1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol

C22H31O3P — CID 89214388

IUPAC1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol
SMILESCCC(C)(Pc1ccc(C)cc1C(C)O)c1cccc(C)c1OCOC
InChIInChI=1S/C22H31O3P/c1-7-22(5,19-10-8-9-16(3)21(19)25-14-24-6)26-20-12-11-15(2)13-18(20)17(4)23/h8-13,17,23,26H,7,14H2,1-6H3
InChIKeyGANVUXRWXHIEJD-UHFFFAOYSA-N
MW374.46 g/mol
LogP4.97
Rot. Bonds8

About 1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol

1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol (PubChem CID 89214388) has the molecular formula C22H31O3P and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol
PubChem CID89214388
Molecular FormulaC22H31O3P
Molecular Weight374.46 g/mol
Exact Mass374.20
IUPAC Name1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol
SMILESCCC(C)(Pc1ccc(C)cc1C(C)O)c1cccc(C)c1OCOC
InChIInChI=1S/C22H31O3P/c1-7-22(5,19-10-8-9-16(3)21(19)25-14-24-6)26-20-12-11-15(2)13-18(20)17(4)23/h8-13,17,23,26H,7,14H2,1-6H3
InChIKeyGANVUXRWXHIEJD-UHFFFAOYSA-N
XLogP4.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol?
The IUPAC name of 1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol (CID 89214388) is 1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol.
What is the SMILES notation for 1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol?
The canonical SMILES for 1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol is CCC(C)(Pc1ccc(C)cc1C(C)O)c1cccc(C)c1OCOC.
What is the InChIKey of 1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol?
The InChIKey is GANVUXRWXHIEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31O3P/c1-7-22(5,19-10-8-9-16(3)21(19)25-14-24-6)26-20-12-11-15(2)13-18(20)17(4)23/h8-13,17,23,26H,7,14H2,1-6H3.
What are the key properties of 1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol?
1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol has a molecular weight of 374.46 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol is sourced from PubChem (CID 89214388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).