1-[methoxy(propoxy)phosphoryl]-4-methylbenzene

C11H17O3P — CID 150763213

IUPAC1-[methoxy(propoxy)phosphoryl]-4-methylbenzene
SMILESCCCOP(=O)(OC)c1ccc(C)cc1
InChIInChI=1S/C11H17O3P/c1-4-9-14-15(12,13-3)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3
InChIKeyJYGRKEZMVTWZEM-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.89
Rot. Bonds5

About 1-[methoxy(propoxy)phosphoryl]-4-methylbenzene

1-[methoxy(propoxy)phosphoryl]-4-methylbenzene (PubChem CID 150763213) has the molecular formula C11H17O3P and a molecular weight of 228.23 g/mol. Its IUPAC name is 1-[methoxy(propoxy)phosphoryl]-4-methylbenzene.

Molecular Properties

Compound Name1-[methoxy(propoxy)phosphoryl]-4-methylbenzene
PubChem CID150763213
Molecular FormulaC11H17O3P
Molecular Weight228.23 g/mol
Exact Mass228.09
IUPAC Name1-[methoxy(propoxy)phosphoryl]-4-methylbenzene
SMILESCCCOP(=O)(OC)c1ccc(C)cc1
InChIInChI=1S/C11H17O3P/c1-4-9-14-15(12,13-3)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3
InChIKeyJYGRKEZMVTWZEM-UHFFFAOYSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.89
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

1-chloro-4-dipropoxyphosphorylbenzene
CID 86198706
dipropoxyphosphorylbenzene
CID 11736632
1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene
CID 15616106
1-[ethoxy(propyl)phosphoryl]-4-methylbenzene
CID 23081786
1-methyl-4-[(4-methylphenoxy)-(4-methylphenyl)phosphoryl]oxybenzene
CID 54463296
ethyl 4-dimethoxyphosphorylbenzoate
CID 86052648
2-ethoxyethyl-(4-methylphenyl)phosphinic acid
CID 118860001
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464
di(tridecoxy)phosphorylbenzene
CID 87531060
1-methyl-4-[[(4-methylphenyl)methoxy-phenylphosphoryl]oxymethyl]benzene
CID 101025197
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
1-[methoxy(propyl)phosphoryl]oxypropane
CID 587089

Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(propoxy)phosphoryl]-4-methylbenzene?
The IUPAC name of 1-[methoxy(propoxy)phosphoryl]-4-methylbenzene (CID 150763213) is 1-[methoxy(propoxy)phosphoryl]-4-methylbenzene.
What is the SMILES notation for 1-[methoxy(propoxy)phosphoryl]-4-methylbenzene?
The canonical SMILES for 1-[methoxy(propoxy)phosphoryl]-4-methylbenzene is CCCOP(=O)(OC)c1ccc(C)cc1.
What is the InChIKey of 1-[methoxy(propoxy)phosphoryl]-4-methylbenzene?
The InChIKey is JYGRKEZMVTWZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O3P/c1-4-9-14-15(12,13-3)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3.
What are the key properties of 1-[methoxy(propoxy)phosphoryl]-4-methylbenzene?
1-[methoxy(propoxy)phosphoryl]-4-methylbenzene has a molecular weight of 228.23 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(propoxy)phosphoryl]-4-methylbenzene is sourced from PubChem (CID 150763213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).