[6-methoxyhexyl(phenyl)phosphoryl]benzene

C19H25O2P — CID 141463056

IUPAC[6-methoxyhexyl(phenyl)phosphoryl]benzene
SMILESCOCCCCCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25O2P/c1-21-16-10-2-3-11-17-22(20,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15H,2-3,10-11,16-17H2,1H3
InChIKeyLVQYGXZFSZMVAQ-UHFFFAOYSA-N
MW316.38 g/mol
LogP4.21
Rot. Bonds9

About [6-methoxyhexyl(phenyl)phosphoryl]benzene

[6-methoxyhexyl(phenyl)phosphoryl]benzene (PubChem CID 141463056) has the molecular formula C19H25O2P and a molecular weight of 316.38 g/mol. Its IUPAC name is [6-methoxyhexyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[6-methoxyhexyl(phenyl)phosphoryl]benzene
PubChem CID141463056
Molecular FormulaC19H25O2P
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name[6-methoxyhexyl(phenyl)phosphoryl]benzene
SMILESCOCCCCCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25O2P/c1-21-16-10-2-3-11-17-22(20,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15H,2-3,10-11,16-17H2,1H3
InChIKeyLVQYGXZFSZMVAQ-UHFFFAOYSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 54.21
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

4,9,14,19,24,26,28,30,32,34-decakis(6-diphenylphosphorylhexoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene
CID 102143987
[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene
CID 15362204
[2-methoxyethoxymethyl(phenyl)phosphoryl]benzene
CID 4116161
[2-ethoxyethyl(phenyl)phosphoryl]benzene
CID 2304634
2-diphenylphosphorylethyl-dimethoxy-methylsilane
CID 13356480
7-methoxyheptylbenzene
CID 54276867
1-[bis(7-methoxyheptyl)phosphoryl]-7-methoxyheptane
CID 126564283
1-[butyl(phenyl)phosphoryl]-4-chlorobenzene
CID 134968040
3-diphenylphosphorylpropyl 4-methylbenzenesulfonate
CID 10341723
1-[butyl(phenyl)phosphoryl]-2-methoxybenzene
CID 14663612
benzene;1,4-dimethoxybutane;ethane
CID 143037536
[(12-diphenylphosphoryl-5,8-dimethylidenedodec-6-ynyl)-phenylphosphoryl]benzene
CID 102002556

Frequently Asked Questions

What is the IUPAC name of [6-methoxyhexyl(phenyl)phosphoryl]benzene?
The IUPAC name of [6-methoxyhexyl(phenyl)phosphoryl]benzene (CID 141463056) is [6-methoxyhexyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for [6-methoxyhexyl(phenyl)phosphoryl]benzene?
The canonical SMILES for [6-methoxyhexyl(phenyl)phosphoryl]benzene is COCCCCCCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [6-methoxyhexyl(phenyl)phosphoryl]benzene?
The InChIKey is LVQYGXZFSZMVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25O2P/c1-21-16-10-2-3-11-17-22(20,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15H,2-3,10-11,16-17H2,1H3.
What are the key properties of [6-methoxyhexyl(phenyl)phosphoryl]benzene?
[6-methoxyhexyl(phenyl)phosphoryl]benzene has a molecular weight of 316.38 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxyhexyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 141463056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).