[chloromethyl(nonoxy)phosphoryl]oxybenzene

C16H26ClO3P — CID 163168049

IUPAC[chloromethyl(nonoxy)phosphoryl]oxybenzene
SMILESCCCCCCCCCO[P@](=O)(CCl)Oc1ccccc1
InChIInChI=1S/C16H26ClO3P/c1-2-3-4-5-6-7-11-14-19-21(18,15-17)20-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3/t21-/m1/s1
InChIKeyUFOWRUJNBABCPF-OAQYLSRUSA-N
MW332.81 g/mol
LogP6.22
Rot. Bonds12

About [chloromethyl(nonoxy)phosphoryl]oxybenzene

[chloromethyl(nonoxy)phosphoryl]oxybenzene (PubChem CID 163168049) has the molecular formula C16H26ClO3P and a molecular weight of 332.81 g/mol. Its IUPAC name is [chloromethyl(nonoxy)phosphoryl]oxybenzene.

Molecular Properties

Compound Name[chloromethyl(nonoxy)phosphoryl]oxybenzene
PubChem CID163168049
Molecular FormulaC16H26ClO3P
Molecular Weight332.81 g/mol
Exact Mass332.13
IUPAC Name[chloromethyl(nonoxy)phosphoryl]oxybenzene
SMILESCCCCCCCCCO[P@](=O)(CCl)Oc1ccccc1
InChIInChI=1S/C16H26ClO3P/c1-2-3-4-5-6-7-11-14-19-21(18,15-17)20-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3/t21-/m1/s1
InChIKeyUFOWRUJNBABCPF-OAQYLSRUSA-N
XLogP6.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.81
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [chloromethyl(nonoxy)phosphoryl]oxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[chloromethyl(pentoxy)phosphoryl]oxybenzene
CID 163137726
hexyl diphenyl phosphate
CID 13389453
heptyl pentyl phenyl phosphate
CID 21454681
[chloromethyl(ethoxy)phosphoryl]oxybenzene
CID 71429135
hexyl phenyl hydrogen phosphate
CID 66863526
alumane;phenyl tetradecyl hydrogen phosphate
CID 173415537
2-[2-chloroethyl(octoxy)phosphoryl]oxyphenol
CID 71410364
octadecyl phenyl phosphono phosphate
CID 174802974
1-[butyl(octoxy)phosphoryl]oxy-4-methoxybenzene
CID 91743724
1-[butyl(nonoxy)phosphoryl]oxy-3-methylbenzene
CID 91736556
1-[amino(phenoxy)phosphoryl]oxy-4-hexoxybenzene
CID 67856737
di(tridecoxy)phosphorylbenzene
CID 87531060

Frequently Asked Questions

What is the IUPAC name of [chloromethyl(nonoxy)phosphoryl]oxybenzene?
The IUPAC name of [chloromethyl(nonoxy)phosphoryl]oxybenzene (CID 163168049) is [chloromethyl(nonoxy)phosphoryl]oxybenzene.
What is the SMILES notation for [chloromethyl(nonoxy)phosphoryl]oxybenzene?
The canonical SMILES for [chloromethyl(nonoxy)phosphoryl]oxybenzene is CCCCCCCCCO[P@](=O)(CCl)Oc1ccccc1.
What is the InChIKey of [chloromethyl(nonoxy)phosphoryl]oxybenzene?
The InChIKey is UFOWRUJNBABCPF-OAQYLSRUSA-N. The full InChI is InChI=1S/C16H26ClO3P/c1-2-3-4-5-6-7-11-14-19-21(18,15-17)20-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3/t21-/m1/s1.
What are the key properties of [chloromethyl(nonoxy)phosphoryl]oxybenzene?
[chloromethyl(nonoxy)phosphoryl]oxybenzene has a molecular weight of 332.81 g/mol, XLogP of 6.22, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [chloromethyl(nonoxy)phosphoryl]oxybenzene is sourced from PubChem (CID 163168049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).