1-phosphorosopentylbenzene

C11H15OP — CID 54262186

IUPAC1-phosphorosopentylbenzene
SMILESCCCCC(P=O)c1ccccc1
InChIInChI=1S/C11H15OP/c1-2-3-9-11(13-12)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
InChIKeyREGUWUPIPGCTDE-UHFFFAOYSA-N
MW194.21 g/mol
LogP4.21
Rot. Bonds5

About 1-phosphorosopentylbenzene

1-phosphorosopentylbenzene (PubChem CID 54262186) has the molecular formula C11H15OP and a molecular weight of 194.21 g/mol. Its IUPAC name is 1-phosphorosopentylbenzene.

Molecular Properties

Compound Name1-phosphorosopentylbenzene
PubChem CID54262186
Molecular FormulaC11H15OP
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name1-phosphorosopentylbenzene
SMILESCCCCC(P=O)c1ccccc1
InChIInChI=1S/C11H15OP/c1-2-3-9-11(13-12)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
InChIKeyREGUWUPIPGCTDE-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-phosphorosopentylbenzene 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

ethyl 4-phenyl-4-phosphorosobutanoate
CID 174776094
(1S)-1-phenylpentan-1-ol
CID 6992754
10-phenyltetradecan-5-ylbenzene
CID 22891787
CID 173139841
CID 173139841
1-(1-phenylpentylsulfinyl)pentylbenzene
CID 118387967
heptan-3-ylbenzene;methane
CID 159006232
1-isocyanopentylbenzene
CID 172755000
[(E)-8-phenyldodec-6-en-5-yl]benzene
CID 14267465
hydroxy-oxo-(1-phenylpentoxy)phosphanium
CID 90299960
3-phenylheptanal
CID 10954355
1-phenylpentyl formate
CID 54289292
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170

Frequently Asked Questions

What is the IUPAC name of 1-phosphorosopentylbenzene?
The IUPAC name of 1-phosphorosopentylbenzene (CID 54262186) is 1-phosphorosopentylbenzene.
What is the SMILES notation for 1-phosphorosopentylbenzene?
The canonical SMILES for 1-phosphorosopentylbenzene is CCCCC(P=O)c1ccccc1.
What is the InChIKey of 1-phosphorosopentylbenzene?
The InChIKey is REGUWUPIPGCTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15OP/c1-2-3-9-11(13-12)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3.
What are the key properties of 1-phosphorosopentylbenzene?
1-phosphorosopentylbenzene has a molecular weight of 194.21 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphorosopentylbenzene is sourced from PubChem (CID 54262186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).