2,2-bis(2-methylphenoxy)ethylphosphane

C16H19O2P — CID 175048136

IUPAC2,2-bis(2-methylphenoxy)ethylphosphane
SMILESCc1ccccc1OC(CP)Oc1ccccc1C
InChIInChI=1S/C16H19O2P/c1-12-7-3-5-9-14(12)17-16(11-19)18-15-10-6-4-8-13(15)2/h3-10,16H,11,19H2,1-2H3
InChIKeyCQXZYKIDYABKJP-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.96
Rot. Bonds5

About 2,2-bis(2-methylphenoxy)ethylphosphane

2,2-bis(2-methylphenoxy)ethylphosphane (PubChem CID 175048136) has the molecular formula C16H19O2P and a molecular weight of 274.30 g/mol. Its IUPAC name is 2,2-bis(2-methylphenoxy)ethylphosphane.

Molecular Properties

Compound Name2,2-bis(2-methylphenoxy)ethylphosphane
PubChem CID175048136
Molecular FormulaC16H19O2P
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2,2-bis(2-methylphenoxy)ethylphosphane
SMILESCc1ccccc1OC(CP)Oc1ccccc1C
InChIInChI=1S/C16H19O2P/c1-12-7-3-5-9-14(12)17-16(11-19)18-15-10-6-4-8-13(15)2/h3-10,16H,11,19H2,1-2H3
InChIKeyCQXZYKIDYABKJP-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

1-(2-methylphenoxy)butylphosphane
CID 175049476
1-(1-iodoethoxy)-2-methylbenzene
CID 135136268
(2R)-2-(2-methylphenoxy)butanoyl chloride
CID 51980370
CID 174286143
CID 174286143
4-(2-methylphenoxy)pentan-2-amine
CID 64707496
1-methyl-2-propan-2-yloxybenzene;trichlororuthenium
CID 175208112
N-methyl-2-(2-methylphenoxy)pentan-1-amine
CID 83045023
2-(2-methylphenoxy)propylhydrazine
CID 82280822
(2S,3S)-2,3-bis(2-methylphenoxy)butanedioic acid
CID 69402969
1-methyl-2-(1,2,2,2-tetrafluoroethoxy)benzene
CID 57121963
N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine
CID 46736333
1,1,3,3-tetramethyl-2-[2-(2-methylphenoxy)butyl]guanidine;hydroiodide
CID 111800317

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methylphenoxy)ethylphosphane?
The IUPAC name of 2,2-bis(2-methylphenoxy)ethylphosphane (CID 175048136) is 2,2-bis(2-methylphenoxy)ethylphosphane.
What is the SMILES notation for 2,2-bis(2-methylphenoxy)ethylphosphane?
The canonical SMILES for 2,2-bis(2-methylphenoxy)ethylphosphane is Cc1ccccc1OC(CP)Oc1ccccc1C.
What is the InChIKey of 2,2-bis(2-methylphenoxy)ethylphosphane?
The InChIKey is CQXZYKIDYABKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O2P/c1-12-7-3-5-9-14(12)17-16(11-19)18-15-10-6-4-8-13(15)2/h3-10,16H,11,19H2,1-2H3.
What are the key properties of 2,2-bis(2-methylphenoxy)ethylphosphane?
2,2-bis(2-methylphenoxy)ethylphosphane has a molecular weight of 274.30 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methylphenoxy)ethylphosphane is sourced from PubChem (CID 175048136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).