butyl-tris(2-methylphenoxy)-phenyl-λ5-phosphane

C31H35O3P — CID 174625067

IUPACbutyl-tris(2-methylphenoxy)-phenyl-λ5-phosphane
SMILESCCCCP(Oc1ccccc1C)(Oc1ccccc1C)(Oc1ccccc1C)c1ccccc1
InChIInChI=1S/C31H35O3P/c1-5-6-24-35(28-19-8-7-9-20-28,32-29-21-13-10-16-25(29)2,33-30-22-14-11-17-26(30)3)34-31-23-15-12-18-27(31)4/h7-23H,5-6,24H2,1-4H3
InChIKeyGJCOZAFFLAJIOE-UHFFFAOYSA-N
MW486.59 g/mol
LogP8.57
Rot. Bonds10

About butyl-tris(2-methylphenoxy)-phenyl-λ5-phosphane

butyl-tris(2-methylphenoxy)-phenyl-λ5-phosphane (PubChem CID 174625067) has the molecular formula C31H35O3P and a molecular weight of 486.59 g/mol. Its IUPAC name is butyl-tris(2-methylphenoxy)-phenyl-λ5-phosphane.

Molecular Properties

Compound Namebutyl-tris(2-methylphenoxy)-phenyl-λ5-phosphane
PubChem CID174625067
Molecular FormulaC31H35O3P
Molecular Weight486.59 g/mol
Exact Mass486.23
IUPAC Namebutyl-tris(2-methylphenoxy)-phenyl-λ5-phosphane
SMILESCCCCP(Oc1ccccc1C)(Oc1ccccc1C)(Oc1ccccc1C)c1ccccc1
InChIInChI=1S/C31H35O3P/c1-5-6-24-35(28-19-8-7-9-20-28,32-29-21-13-10-16-25(29)2,33-30-22-14-11-17-26(30)3)34-31-23-15-12-18-27(31)4/h7-23H,5-6,24H2,1-4H3
InChIKeyGJCOZAFFLAJIOE-UHFFFAOYSA-N
XLogP8.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.59
LogP ≤ 58.57
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

ethane;1-methyl-2-pentoxybenzene
CID 143283195
1-methyl-2-pentadecoxybenzene
CID 154641785
dibromo-butyl-diphenyl-λ5-phosphane
CID 134984074
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
tris[butyl(triphenyl)-λ5-phosphanyl] borate
CID 141029383
CID 68585082
CID 68585082
dihydroxy-octoxy-octyl-phenyl-λ5-phosphane
CID 141124882
trimethyl-pentyl-phenyl-λ5-phosphane
CID 141147605
hexadecoxy-dimethyl-(2-methylphenoxy)silane
CID 91744863
tris(1-methoxy-2-methylbenzene);propane
CID 158759517
2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene
CID 175265756
octanoic acid;tris(2-methylphenyl) phosphate
CID 174964578

Frequently Asked Questions

What is the IUPAC name of butyl-tris(2-methylphenoxy)-phenyl-λ5-phosphane?
The IUPAC name of butyl-tris(2-methylphenoxy)-phenyl-λ5-phosphane (CID 174625067) is butyl-tris(2-methylphenoxy)-phenyl-λ5-phosphane.
What is the SMILES notation for butyl-tris(2-methylphenoxy)-phenyl-λ5-phosphane?
The canonical SMILES for butyl-tris(2-methylphenoxy)-phenyl-λ5-phosphane is CCCCP(Oc1ccccc1C)(Oc1ccccc1C)(Oc1ccccc1C)c1ccccc1.
What is the InChIKey of butyl-tris(2-methylphenoxy)-phenyl-λ5-phosphane?
The InChIKey is GJCOZAFFLAJIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35O3P/c1-5-6-24-35(28-19-8-7-9-20-28,32-29-21-13-10-16-25(29)2,33-30-22-14-11-17-26(30)3)34-31-23-15-12-18-27(31)4/h7-23H,5-6,24H2,1-4H3.
What are the key properties of butyl-tris(2-methylphenoxy)-phenyl-λ5-phosphane?
butyl-tris(2-methylphenoxy)-phenyl-λ5-phosphane has a molecular weight of 486.59 g/mol, XLogP of 8.57, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-tris(2-methylphenoxy)-phenyl-λ5-phosphane is sourced from PubChem (CID 174625067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).