benzyl chloromethyl heptyl phosphite

C15H24ClO3P — CID 170723146

IUPACbenzyl chloromethyl heptyl phosphite
SMILESCCCCCCCOP(OCCl)OCc1ccccc1
InChIInChI=1S/C15H24ClO3P/c1-2-3-4-5-9-12-17-20(19-14-16)18-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3
InChIKeyORFXRVFNOYQEPN-UHFFFAOYSA-N
MW318.78 g/mol
LogP5.63
Rot. Bonds12

About benzyl chloromethyl heptyl phosphite

benzyl chloromethyl heptyl phosphite (PubChem CID 170723146) has the molecular formula C15H24ClO3P and a molecular weight of 318.78 g/mol. Its IUPAC name is benzyl chloromethyl heptyl phosphite.

Molecular Properties

Compound Namebenzyl chloromethyl heptyl phosphite
PubChem CID170723146
Molecular FormulaC15H24ClO3P
Molecular Weight318.78 g/mol
Exact Mass318.12
IUPAC Namebenzyl chloromethyl heptyl phosphite
SMILESCCCCCCCOP(OCCl)OCc1ccccc1
InChIInChI=1S/C15H24ClO3P/c1-2-3-4-5-9-12-17-20(19-14-16)18-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3
InChIKeyORFXRVFNOYQEPN-UHFFFAOYSA-N
XLogP5.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.78
LogP ≤ 55.63
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'}

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Related Compounds

benzyl hexyl hydrogen phosphite
CID 174676176
benzyl dodecyl hydrogen phosphite
CID 161198417
tribenzyl phosphite
CID 11810300
triheptadecyl phosphite
CID 23435031
azane;hexoxymethylbenzene
CID 174805489
dodecylperoxymethylbenzene
CID 88509810
2-hexadecoxyethoxymethylbenzene
CID 19965709
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
diphenyl 11-undecoxyundecyl phosphite
CID 101311931
diphenyl 13-tridecoxytridecyl phosphite
CID 101311954

Frequently Asked Questions

What is the IUPAC name of benzyl chloromethyl heptyl phosphite?
The IUPAC name of benzyl chloromethyl heptyl phosphite (CID 170723146) is benzyl chloromethyl heptyl phosphite.
What is the SMILES notation for benzyl chloromethyl heptyl phosphite?
The canonical SMILES for benzyl chloromethyl heptyl phosphite is CCCCCCCOP(OCCl)OCc1ccccc1.
What is the InChIKey of benzyl chloromethyl heptyl phosphite?
The InChIKey is ORFXRVFNOYQEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClO3P/c1-2-3-4-5-9-12-17-20(19-14-16)18-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3.
What are the key properties of benzyl chloromethyl heptyl phosphite?
benzyl chloromethyl heptyl phosphite has a molecular weight of 318.78 g/mol, XLogP of 5.63, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl chloromethyl heptyl phosphite is sourced from PubChem (CID 170723146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).