ethane;methane;[methyl(phenyl)phosphoryl]benzene

C18H29OP — CID 162150444

IUPACethane;methane;[methyl(phenyl)phosphoryl]benzene
SMILESC.CC.CC.CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13OP.2C2H6.CH4/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13;2*1-2;/h2-11H,1H3;2*1-2H3;1H4
InChIKeyZLDFMBDVDBFDPD-UHFFFAOYSA-N
MW292.40 g/mol
LogP5.32
Rot. Bonds2

About ethane;methane;[methyl(phenyl)phosphoryl]benzene

ethane;methane;[methyl(phenyl)phosphoryl]benzene (PubChem CID 162150444) has the molecular formula C18H29OP and a molecular weight of 292.40 g/mol. Its IUPAC name is ethane;methane;[methyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Nameethane;methane;[methyl(phenyl)phosphoryl]benzene
PubChem CID162150444
Molecular FormulaC18H29OP
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Nameethane;methane;[methyl(phenyl)phosphoryl]benzene
SMILESC.CC.CC.CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13OP.2C2H6.CH4/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13;2*1-2;/h2-11H,1H3;2*1-2H3;1H4
InChIKeyZLDFMBDVDBFDPD-UHFFFAOYSA-N
XLogP5.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.40
LogP ≤ 55.32
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

methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
1-[methyl-(4-phenylphenyl)phosphoryl]-4-phenylbenzene
CID 14298647
1-[methyl(phenyl)phosphoryl]-3-phenylbenzene
CID 57015160
[methyl(phenyl)phosphoryl]methanamine
CID 58489074
methyl(phenyl)phosphinic acid;zinc
CID 66618039
CID 50986602
CID 50986602
dimethyl-phenyl-sulfanylidene-λ5-phosphane;ethane
CID 91466135
magnesium;hydride;methyl(phenyl)phosphinic acid
CID 173000792
[ethenyl(methyl)phosphoryl]benzene
CID 10920870
[tert-butyl(methyl)phosphoryl]benzene
CID 12568654
[tert-butyl(methyl)phosphoryl]benzene
CID 12568653
1,3,5-trimethyl-2-[methyl(phenyl)phosphoryl]benzene
CID 90152256

Frequently Asked Questions

What is the IUPAC name of ethane;methane;[methyl(phenyl)phosphoryl]benzene?
The IUPAC name of ethane;methane;[methyl(phenyl)phosphoryl]benzene (CID 162150444) is ethane;methane;[methyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for ethane;methane;[methyl(phenyl)phosphoryl]benzene?
The canonical SMILES for ethane;methane;[methyl(phenyl)phosphoryl]benzene is C.CC.CC.CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethane;methane;[methyl(phenyl)phosphoryl]benzene?
The InChIKey is ZLDFMBDVDBFDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13OP.2C2H6.CH4/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13;2*1-2;/h2-11H,1H3;2*1-2H3;1H4.
What are the key properties of ethane;methane;[methyl(phenyl)phosphoryl]benzene?
ethane;methane;[methyl(phenyl)phosphoryl]benzene has a molecular weight of 292.40 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;[methyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 162150444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).