1,2-dicyclohexyl-3-phosphanylsulfonyloxybenzene

C18H27O3PS — CID 90957503

IUPAC1,2-dicyclohexyl-3-phosphanylsulfonyloxybenzene
SMILESO=S(=O)(P)Oc1cccc(C2CCCCC2)c1C1CCCCC1
InChIInChI=1S/C18H27O3PS/c19-23(20,22)21-17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15/h7,12-15H,1-6,8-11,22H2
InChIKeyOYPZHNRTOFLSBA-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.28
Rot. Bonds4

About 1,2-dicyclohexyl-3-phosphanylsulfonyloxybenzene

1,2-dicyclohexyl-3-phosphanylsulfonyloxybenzene (PubChem CID 90957503) has the molecular formula C18H27O3PS and a molecular weight of 354.45 g/mol. Its IUPAC name is 1,2-dicyclohexyl-3-phosphanylsulfonyloxybenzene.

Molecular Properties

Compound Name1,2-dicyclohexyl-3-phosphanylsulfonyloxybenzene
PubChem CID90957503
Molecular FormulaC18H27O3PS
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC Name1,2-dicyclohexyl-3-phosphanylsulfonyloxybenzene
SMILESO=S(=O)(P)Oc1cccc(C2CCCCC2)c1C1CCCCC1
InChIInChI=1S/C18H27O3PS/c19-23(20,22)21-17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15/h7,12-15H,1-6,8-11,22H2
InChIKeyOYPZHNRTOFLSBA-UHFFFAOYSA-N
XLogP5.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dicyclohexyl-3-phosphanylsulfonyloxybenzene?
The IUPAC name of 1,2-dicyclohexyl-3-phosphanylsulfonyloxybenzene (CID 90957503) is 1,2-dicyclohexyl-3-phosphanylsulfonyloxybenzene.
What is the SMILES notation for 1,2-dicyclohexyl-3-phosphanylsulfonyloxybenzene?
The canonical SMILES for 1,2-dicyclohexyl-3-phosphanylsulfonyloxybenzene is O=S(=O)(P)Oc1cccc(C2CCCCC2)c1C1CCCCC1.
What is the InChIKey of 1,2-dicyclohexyl-3-phosphanylsulfonyloxybenzene?
The InChIKey is OYPZHNRTOFLSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27O3PS/c19-23(20,22)21-17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15/h7,12-15H,1-6,8-11,22H2.
What are the key properties of 1,2-dicyclohexyl-3-phosphanylsulfonyloxybenzene?
1,2-dicyclohexyl-3-phosphanylsulfonyloxybenzene has a molecular weight of 354.45 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclohexyl-3-phosphanylsulfonyloxybenzene is sourced from PubChem (CID 90957503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).