2-pentyl-1-phenyl-3-phosphorosobenzene

C17H19OP — CID 90032928

IUPAC2-pentyl-1-phenyl-3-phosphorosobenzene
SMILESCCCCCc1c(P=O)cccc1-c1ccccc1
InChIInChI=1S/C17H19OP/c1-2-3-5-11-16-15(12-8-13-17(16)19-18)14-9-6-4-7-10-14/h4,6-10,12-13H,2-3,5,11H2,1H3
InChIKeyCKXDKUOVRFZWMB-UHFFFAOYSA-N
MW270.31 g/mol
LogP5.00
Rot. Bonds6

About 2-pentyl-1-phenyl-3-phosphorosobenzene

2-pentyl-1-phenyl-3-phosphorosobenzene (PubChem CID 90032928) has the molecular formula C17H19OP and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-pentyl-1-phenyl-3-phosphorosobenzene.

Molecular Properties

Compound Name2-pentyl-1-phenyl-3-phosphorosobenzene
PubChem CID90032928
Molecular FormulaC17H19OP
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-pentyl-1-phenyl-3-phosphorosobenzene
SMILESCCCCCc1c(P=O)cccc1-c1ccccc1
InChIInChI=1S/C17H19OP/c1-2-3-5-11-16-15(12-8-13-17(16)19-18)14-9-6-4-7-10-14/h4,6-10,12-13H,2-3,5,11H2,1H3
InChIKeyCKXDKUOVRFZWMB-UHFFFAOYSA-N
XLogP5.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.31
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-pentyl-1-phenyl-3-phosphorosobenzene 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

1,2-di(nonyl)-3-phenylbenzene;phosphonous acid
CID 70527839
1-phenyl-2-phosphorosobenzene
CID 21281617
(2-octyl-6-phenylphenyl)methanamine;hydrochloride
CID 118513340
gold;1-pentyl-2-phenylbenzene
CID 174945702
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
1-hexyl-2,3-diphenylbenzene
CID 54065322
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
formonitrile;1-pentyl-2-phenylbenzene
CID 67877805
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
2-hexyl-4-phenylbenzene-1,3-diol
CID 23109189
[2,3-di(nonyl)-4-phenylphenyl] dihydrogen phosphate
CID 22481171
hexane;3-phenylbenzene-1,2-diamine
CID 175068745

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1-phenyl-3-phosphorosobenzene?
The IUPAC name of 2-pentyl-1-phenyl-3-phosphorosobenzene (CID 90032928) is 2-pentyl-1-phenyl-3-phosphorosobenzene.
What is the SMILES notation for 2-pentyl-1-phenyl-3-phosphorosobenzene?
The canonical SMILES for 2-pentyl-1-phenyl-3-phosphorosobenzene is CCCCCc1c(P=O)cccc1-c1ccccc1.
What is the InChIKey of 2-pentyl-1-phenyl-3-phosphorosobenzene?
The InChIKey is CKXDKUOVRFZWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19OP/c1-2-3-5-11-16-15(12-8-13-17(16)19-18)14-9-6-4-7-10-14/h4,6-10,12-13H,2-3,5,11H2,1H3.
What are the key properties of 2-pentyl-1-phenyl-3-phosphorosobenzene?
2-pentyl-1-phenyl-3-phosphorosobenzene has a molecular weight of 270.31 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1-phenyl-3-phosphorosobenzene is sourced from PubChem (CID 90032928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).