1-dimethoxyphosphoryl-5-phenylpentan-1-one

C13H19O4P — CID 118861235

IUPAC1-dimethoxyphosphoryl-5-phenylpentan-1-one
SMILESCOP(=O)(OC)C(=O)CCCCc1ccccc1
InChIInChI=1S/C13H19O4P/c1-16-18(15,17-2)13(14)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3
InChIKeyKFMBXXUEHNUGQK-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.41
Rot. Bonds8

About 1-dimethoxyphosphoryl-5-phenylpentan-1-one

1-dimethoxyphosphoryl-5-phenylpentan-1-one (PubChem CID 118861235) has the molecular formula C13H19O4P and a molecular weight of 270.26 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-5-phenylpentan-1-one.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-5-phenylpentan-1-one
PubChem CID118861235
Molecular FormulaC13H19O4P
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name1-dimethoxyphosphoryl-5-phenylpentan-1-one
SMILESCOP(=O)(OC)C(=O)CCCCc1ccccc1
InChIInChI=1S/C13H19O4P/c1-16-18(15,17-2)13(14)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3
InChIKeyKFMBXXUEHNUGQK-UHFFFAOYSA-N
XLogP3.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetyl 5-phenylpentanoate
CID 173141097
(3-diazo-3-dimethoxyphosphorylpropyl)benzene
CID 24975952
1,9-diphenylnonan-5-one
CID 23467830
3-(4-chlorophenyl)-1-dimethoxyphosphorylpropan-1-one
CID 13287894
15-phenylpentadecanoic acid
CID 2737151
benzyl 5-[4-(dimethoxyphosphorylmethyl)phenyl]pentanoate
CID 57030534
3-methoxy-7-phenylhept-2-enoic acid
CID 71400862
2,2-dimethyl-7-phenylheptan-3-one
CID 13371233
2-methyl-7-phenylheptan-3-one
CID 13129845
5-phenylpentanoic acid;2-phosphonoacetic acid
CID 67686040
methyl 11-(4-phenylbutylamino)undecanoate
CID 167433431
ethoxycarbonyl 5-phenylpentanoate
CID 174404488

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-5-phenylpentan-1-one?
The IUPAC name of 1-dimethoxyphosphoryl-5-phenylpentan-1-one (CID 118861235) is 1-dimethoxyphosphoryl-5-phenylpentan-1-one.
What is the SMILES notation for 1-dimethoxyphosphoryl-5-phenylpentan-1-one?
The canonical SMILES for 1-dimethoxyphosphoryl-5-phenylpentan-1-one is COP(=O)(OC)C(=O)CCCCc1ccccc1.
What is the InChIKey of 1-dimethoxyphosphoryl-5-phenylpentan-1-one?
The InChIKey is KFMBXXUEHNUGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19O4P/c1-16-18(15,17-2)13(14)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3.
What are the key properties of 1-dimethoxyphosphoryl-5-phenylpentan-1-one?
1-dimethoxyphosphoryl-5-phenylpentan-1-one has a molecular weight of 270.26 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-5-phenylpentan-1-one is sourced from PubChem (CID 118861235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).