1-[cyclohexyl(methyl)phosphoryl]oxy-4-methylbenzene

C14H21O2P — CID 11184311

IUPAC1-[cyclohexyl(methyl)phosphoryl]oxy-4-methylbenzene
SMILESCc1ccc(OP(C)(=O)C2CCCCC2)cc1
InChIInChI=1S/C14H21O2P/c1-12-8-10-13(11-9-12)16-17(2,15)14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3
InChIKeyOGAUEFMDYYMZGG-UHFFFAOYSA-N
MW252.29 g/mol
LogP4.61
Rot. Bonds3

About 1-[cyclohexyl(methyl)phosphoryl]oxy-4-methylbenzene

1-[cyclohexyl(methyl)phosphoryl]oxy-4-methylbenzene (PubChem CID 11184311) has the molecular formula C14H21O2P and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)phosphoryl]oxy-4-methylbenzene.

Molecular Properties

Compound Name1-[cyclohexyl(methyl)phosphoryl]oxy-4-methylbenzene
PubChem CID11184311
Molecular FormulaC14H21O2P
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name1-[cyclohexyl(methyl)phosphoryl]oxy-4-methylbenzene
SMILESCc1ccc(OP(C)(=O)C2CCCCC2)cc1
InChIInChI=1S/C14H21O2P/c1-12-8-10-13(11-9-12)16-17(2,15)14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3
InChIKeyOGAUEFMDYYMZGG-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)phosphoryl]oxy-4-methylbenzene?
The IUPAC name of 1-[cyclohexyl(methyl)phosphoryl]oxy-4-methylbenzene (CID 11184311) is 1-[cyclohexyl(methyl)phosphoryl]oxy-4-methylbenzene.
What is the SMILES notation for 1-[cyclohexyl(methyl)phosphoryl]oxy-4-methylbenzene?
The canonical SMILES for 1-[cyclohexyl(methyl)phosphoryl]oxy-4-methylbenzene is Cc1ccc(OP(C)(=O)C2CCCCC2)cc1.
What is the InChIKey of 1-[cyclohexyl(methyl)phosphoryl]oxy-4-methylbenzene?
The InChIKey is OGAUEFMDYYMZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21O2P/c1-12-8-10-13(11-9-12)16-17(2,15)14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3.
What are the key properties of 1-[cyclohexyl(methyl)phosphoryl]oxy-4-methylbenzene?
1-[cyclohexyl(methyl)phosphoryl]oxy-4-methylbenzene has a molecular weight of 252.29 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(methyl)phosphoryl]oxy-4-methylbenzene is sourced from PubChem (CID 11184311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).