(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-propan-2-yloxy-λ5-phosphane

C30H33O3P — CID 174806887

IUPAC(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-propan-2-yloxy-λ5-phosphane
SMILESCc1ccccc1OP(Oc1ccccc1)(OC(C)C)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C30H33O3P/c1-23(2)31-34(29-21-13-10-16-25(29)4,30-22-14-11-17-26(30)5,32-27-18-7-6-8-19-27)33-28-20-12-9-15-24(28)3/h6-23H,1-5H3
InChIKeyNOHCLWXMYOCUIV-UHFFFAOYSA-N
MW472.57 g/mol
LogP7.44
Rot. Bonds8

About (2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-propan-2-yloxy-λ5-phosphane

(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-propan-2-yloxy-λ5-phosphane (PubChem CID 174806887) has the molecular formula C30H33O3P and a molecular weight of 472.57 g/mol. Its IUPAC name is (2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-propan-2-yloxy-λ5-phosphane.

Molecular Properties

Compound Name(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-propan-2-yloxy-λ5-phosphane
PubChem CID174806887
Molecular FormulaC30H33O3P
Molecular Weight472.57 g/mol
Exact Mass472.22
IUPAC Name(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-propan-2-yloxy-λ5-phosphane
SMILESCc1ccccc1OP(Oc1ccccc1)(OC(C)C)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C30H33O3P/c1-23(2)31-34(29-21-13-10-16-25(29)4,30-22-14-11-17-26(30)5,32-27-18-7-6-8-19-27)33-28-20-12-9-15-24(28)3/h6-23H,1-5H3
InChIKeyNOHCLWXMYOCUIV-UHFFFAOYSA-N
XLogP7.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.57
LogP ≤ 57.44
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

methoxy-(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphane
CID 174535694
[(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-λ5-phosphanyl]oxymethanamine
CID 174484968
ethane;1-methyl-2-phenoxybenzene
CID 90950955
hydroxy-[3-[hydroxy-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphanyl]oxypropoxy]-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane
CID 174541027
hydroxy-(11-methyldodecoxy)-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane
CID 174641097
(2-methylphenyl) cyanate;phenyl cyanate
CID 142108602
triphenoxy(diphenyl)-λ5-phosphane
CID 54432182
1-methyl-2-[[2-(phenoxymethyl)phenyl]methoxy]benzene
CID 151703929
1-(2-methylphenyl)peroxypropan-2-ol
CID 54138716
1-methyl-2-propan-2-yloxybenzene;trichlororuthenium
CID 175208112
1-[4-(2-methylphenoxy)phenyl]propan-2-amine
CID 63803790
butyl-tris(2-methylphenoxy)-phenyl-λ5-phosphane
CID 174625067

Frequently Asked Questions

What is the IUPAC name of (2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-propan-2-yloxy-λ5-phosphane?
The IUPAC name of (2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-propan-2-yloxy-λ5-phosphane (CID 174806887) is (2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-propan-2-yloxy-λ5-phosphane.
What is the SMILES notation for (2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-propan-2-yloxy-λ5-phosphane?
The canonical SMILES for (2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-propan-2-yloxy-λ5-phosphane is Cc1ccccc1OP(Oc1ccccc1)(OC(C)C)(c1ccccc1C)c1ccccc1C.
What is the InChIKey of (2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-propan-2-yloxy-λ5-phosphane?
The InChIKey is NOHCLWXMYOCUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33O3P/c1-23(2)31-34(29-21-13-10-16-25(29)4,30-22-14-11-17-26(30)5,32-27-18-7-6-8-19-27)33-28-20-12-9-15-24(28)3/h6-23H,1-5H3.
What are the key properties of (2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-propan-2-yloxy-λ5-phosphane?
(2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-propan-2-yloxy-λ5-phosphane has a molecular weight of 472.57 g/mol, XLogP of 7.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenoxy)-bis(2-methylphenyl)-phenoxy-propan-2-yloxy-λ5-phosphane is sourced from PubChem (CID 174806887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).