3-[methoxy(pentyl)phosphoryl]propylbenzene

C15H25O2P — CID 11173209

IUPAC3-[methoxy(pentyl)phosphoryl]propylbenzene
SMILESCCCCCP(=O)(CCCc1ccccc1)OC
InChIInChI=1S/C15H25O2P/c1-3-4-8-13-18(16,17-2)14-9-12-15-10-6-5-7-11-15/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3
InChIKeyABGJUBGNOWYZOU-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.73
Rot. Bonds9

About 3-[methoxy(pentyl)phosphoryl]propylbenzene

3-[methoxy(pentyl)phosphoryl]propylbenzene (PubChem CID 11173209) has the molecular formula C15H25O2P and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-[methoxy(pentyl)phosphoryl]propylbenzene.

Molecular Properties

Compound Name3-[methoxy(pentyl)phosphoryl]propylbenzene
PubChem CID11173209
Molecular FormulaC15H25O2P
Molecular Weight268.34 g/mol
Exact Mass268.16
IUPAC Name3-[methoxy(pentyl)phosphoryl]propylbenzene
SMILESCCCCCP(=O)(CCCc1ccccc1)OC
InChIInChI=1S/C15H25O2P/c1-3-4-8-13-18(16,17-2)14-9-12-15-10-6-5-7-11-15/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3
InChIKeyABGJUBGNOWYZOU-UHFFFAOYSA-N
XLogP4.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-[but-3-enyl(methoxy)phosphoryl]propylbenzene
CID 11172792
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
carbonic acid;pentylbenzene
CID 157127683
3-[butyl(octoxy)phosphoryl]oxypropylbenzene
CID 91710244
azane;tetradecylbenzene
CID 70503489
hexylbenzene;hydrogen peroxide
CID 90001206
dodecylbenzene;sulfane
CID 20560423
CID 67791041
CID 67791041

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(pentyl)phosphoryl]propylbenzene?
The IUPAC name of 3-[methoxy(pentyl)phosphoryl]propylbenzene (CID 11173209) is 3-[methoxy(pentyl)phosphoryl]propylbenzene.
What is the SMILES notation for 3-[methoxy(pentyl)phosphoryl]propylbenzene?
The canonical SMILES for 3-[methoxy(pentyl)phosphoryl]propylbenzene is CCCCCP(=O)(CCCc1ccccc1)OC.
What is the InChIKey of 3-[methoxy(pentyl)phosphoryl]propylbenzene?
The InChIKey is ABGJUBGNOWYZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O2P/c1-3-4-8-13-18(16,17-2)14-9-12-15-10-6-5-7-11-15/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3.
What are the key properties of 3-[methoxy(pentyl)phosphoryl]propylbenzene?
3-[methoxy(pentyl)phosphoryl]propylbenzene has a molecular weight of 268.34 g/mol, XLogP of 4.73, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(pentyl)phosphoryl]propylbenzene is sourced from PubChem (CID 11173209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).