1-(2-methylphenoxy)butylphosphane

C11H17OP — CID 175049476

IUPAC1-(2-methylphenoxy)butylphosphane
SMILESCCCC(P)Oc1ccccc1C
InChIInChI=1S/C11H17OP/c1-3-6-11(13)12-10-8-5-4-7-9(10)2/h4-5,7-8,11H,3,6,13H2,1-2H3
InChIKeyDRHHADOOLHGQAV-UHFFFAOYSA-N
MW196.23 g/mol
LogP3.38
Rot. Bonds4

About 1-(2-methylphenoxy)butylphosphane

1-(2-methylphenoxy)butylphosphane (PubChem CID 175049476) has the molecular formula C11H17OP and a molecular weight of 196.23 g/mol. Its IUPAC name is 1-(2-methylphenoxy)butylphosphane.

Molecular Properties

Compound Name1-(2-methylphenoxy)butylphosphane
PubChem CID175049476
Molecular FormulaC11H17OP
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name1-(2-methylphenoxy)butylphosphane
SMILESCCCC(P)Oc1ccccc1C
InChIInChI=1S/C11H17OP/c1-3-6-11(13)12-10-8-5-4-7-9(10)2/h4-5,7-8,11H,3,6,13H2,1-2H3
InChIKeyDRHHADOOLHGQAV-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(2-methylphenoxy)pentan-1-amine
CID 83045023
2,2-bis(2-methylphenoxy)ethylphosphane
CID 175048136
2-(2-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045581
2-(2-methylphenoxy)octan-1-amine
CID 155313069
(2-methylphenyl) 2-methylpentanoate
CID 68905872
N-methyl-1-(2-methylphenoxy)pentan-2-amine
CID 62044744
1-(1-iodoethoxy)-2-methylbenzene
CID 135136268
tris(1-methoxy-2-methylbenzene);propane
CID 158759517
1,1,3,3-tetramethyl-2-[2-(2-methylphenoxy)butyl]guanidine;hydroiodide
CID 111800317
2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide
CID 65012608
(2R,5S)-N-butyl-5-(2-methylphenoxy)hexan-2-amine
CID 2262235
1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea
CID 111508543

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)butylphosphane?
The IUPAC name of 1-(2-methylphenoxy)butylphosphane (CID 175049476) is 1-(2-methylphenoxy)butylphosphane.
What is the SMILES notation for 1-(2-methylphenoxy)butylphosphane?
The canonical SMILES for 1-(2-methylphenoxy)butylphosphane is CCCC(P)Oc1ccccc1C.
What is the InChIKey of 1-(2-methylphenoxy)butylphosphane?
The InChIKey is DRHHADOOLHGQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17OP/c1-3-6-11(13)12-10-8-5-4-7-9(10)2/h4-5,7-8,11H,3,6,13H2,1-2H3.
What are the key properties of 1-(2-methylphenoxy)butylphosphane?
1-(2-methylphenoxy)butylphosphane has a molecular weight of 196.23 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenoxy)butylphosphane is sourced from PubChem (CID 175049476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).