1-butyl-4-phosphorosooxybenzene

C10H13O2P — CID 66862853

IUPAC1-butyl-4-phosphorosooxybenzene
SMILESCCCCc1ccc(OP=O)cc1
InChIInChI=1S/C10H13O2P/c1-2-3-4-9-5-7-10(8-6-9)12-13-11/h5-8H,2-4H2,1H3
InChIKeyRLSUEOKWNXXAIY-UHFFFAOYSA-N
MW196.19 g/mol
LogP3.61
Rot. Bonds5

About 1-butyl-4-phosphorosooxybenzene

1-butyl-4-phosphorosooxybenzene (PubChem CID 66862853) has the molecular formula C10H13O2P and a molecular weight of 196.19 g/mol. Its IUPAC name is 1-butyl-4-phosphorosooxybenzene.

Molecular Properties

Compound Name1-butyl-4-phosphorosooxybenzene
PubChem CID66862853
Molecular FormulaC10H13O2P
Molecular Weight196.19 g/mol
Exact Mass196.07
IUPAC Name1-butyl-4-phosphorosooxybenzene
SMILESCCCCc1ccc(OP=O)cc1
InChIInChI=1S/C10H13O2P/c1-2-3-4-9-5-7-10(8-6-9)12-13-11/h5-8H,2-4H2,1H3
InChIKeyRLSUEOKWNXXAIY-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-(4-butylphenyl)hydroxylamine
CID 176620577
1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene
CID 21471119
[(4-butylphenoxy)-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 87759641
(4-butylphenyl) sulfate
CID 59815367
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
1-butyl-4-nonylbenzene
CID 59545302
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
4-[(4-butylphenoxy)methyl]aniline
CID 115492301
4-(4-butylphenoxy)benzaldehyde
CID 10824839
sodium;hydride;(4-pentylphenyl) formate
CID 174654001
bis(4-butylphenyl) benzene-1,4-dicarboxylate
CID 624550

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-phosphorosooxybenzene?
The IUPAC name of 1-butyl-4-phosphorosooxybenzene (CID 66862853) is 1-butyl-4-phosphorosooxybenzene.
What is the SMILES notation for 1-butyl-4-phosphorosooxybenzene?
The canonical SMILES for 1-butyl-4-phosphorosooxybenzene is CCCCc1ccc(OP=O)cc1.
What is the InChIKey of 1-butyl-4-phosphorosooxybenzene?
The InChIKey is RLSUEOKWNXXAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O2P/c1-2-3-4-9-5-7-10(8-6-9)12-13-11/h5-8H,2-4H2,1H3.
What are the key properties of 1-butyl-4-phosphorosooxybenzene?
1-butyl-4-phosphorosooxybenzene has a molecular weight of 196.19 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-phosphorosooxybenzene is sourced from PubChem (CID 66862853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).