[8-[hydroxy-(3-methylcyclohexyl)oxyphosphanyl]oxy-9-oxo-10H-anthracen-1-yl]oxy-propylphosphinous acid

C24H30O6P2 — CID 142850082

IUPAC[8-[hydroxy-(3-methylcyclohexyl)oxyphosphanyl]oxy-9-oxo-10H-anthracen-1-yl]oxy-propylphosphinous acid
SMILESCCCP(O)Oc1cccc2c1C(=O)c1c(cccc1OP(O)OC1CCCC(C)C1)C2
InChIInChI=1S/C24H30O6P2/c1-3-13-31(26)29-20-11-5-8-17-15-18-9-6-12-21(23(18)24(25)22(17)20)30-32(27)28-19-10-4-7-16(2)14-19/h5-6,8-9,11-12,16,19,26-27H,3-4,7,10,13-15H2,1-2H3
InChIKeyPODBTDLBGGBEST-UHFFFAOYSA-N
MW476.45 g/mol
LogP6.11
Rot. Bonds8

About [8-[hydroxy-(3-methylcyclohexyl)oxyphosphanyl]oxy-9-oxo-10H-anthracen-1-yl]oxy-propylphosphinous acid

[8-[hydroxy-(3-methylcyclohexyl)oxyphosphanyl]oxy-9-oxo-10H-anthracen-1-yl]oxy-propylphosphinous acid (PubChem CID 142850082) has the molecular formula C24H30O6P2 and a molecular weight of 476.45 g/mol. Its IUPAC name is [8-[hydroxy-(3-methylcyclohexyl)oxyphosphanyl]oxy-9-oxo-10H-anthracen-1-yl]oxy-propylphosphinous acid.

Molecular Properties

Compound Name[8-[hydroxy-(3-methylcyclohexyl)oxyphosphanyl]oxy-9-oxo-10H-anthracen-1-yl]oxy-propylphosphinous acid
PubChem CID142850082
Molecular FormulaC24H30O6P2
Molecular Weight476.45 g/mol
Exact Mass476.15
IUPAC Name[8-[hydroxy-(3-methylcyclohexyl)oxyphosphanyl]oxy-9-oxo-10H-anthracen-1-yl]oxy-propylphosphinous acid
SMILESCCCP(O)Oc1cccc2c1C(=O)c1c(cccc1OP(O)OC1CCCC(C)C1)C2
InChIInChI=1S/C24H30O6P2/c1-3-13-31(26)29-20-11-5-8-17-15-18-9-6-12-21(23(18)24(25)22(17)20)30-32(27)28-19-10-4-7-16(2)14-19/h5-6,8-9,11-12,16,19,26-27H,3-4,7,10,13-15H2,1-2H3
InChIKeyPODBTDLBGGBEST-UHFFFAOYSA-N
XLogP6.11
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.45
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [8-[hydroxy-(3-methylcyclohexyl)oxyphosphanyl]oxy-9-oxo-10H-anthracen-1-yl]oxy-propylphosphinous acid?
The IUPAC name of [8-[hydroxy-(3-methylcyclohexyl)oxyphosphanyl]oxy-9-oxo-10H-anthracen-1-yl]oxy-propylphosphinous acid (CID 142850082) is [8-[hydroxy-(3-methylcyclohexyl)oxyphosphanyl]oxy-9-oxo-10H-anthracen-1-yl]oxy-propylphosphinous acid.
What is the SMILES notation for [8-[hydroxy-(3-methylcyclohexyl)oxyphosphanyl]oxy-9-oxo-10H-anthracen-1-yl]oxy-propylphosphinous acid?
The canonical SMILES for [8-[hydroxy-(3-methylcyclohexyl)oxyphosphanyl]oxy-9-oxo-10H-anthracen-1-yl]oxy-propylphosphinous acid is CCCP(O)Oc1cccc2c1C(=O)c1c(cccc1OP(O)OC1CCCC(C)C1)C2.
What is the InChIKey of [8-[hydroxy-(3-methylcyclohexyl)oxyphosphanyl]oxy-9-oxo-10H-anthracen-1-yl]oxy-propylphosphinous acid?
The InChIKey is PODBTDLBGGBEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O6P2/c1-3-13-31(26)29-20-11-5-8-17-15-18-9-6-12-21(23(18)24(25)22(17)20)30-32(27)28-19-10-4-7-16(2)14-19/h5-6,8-9,11-12,16,19,26-27H,3-4,7,10,13-15H2,1-2H3.
What are the key properties of [8-[hydroxy-(3-methylcyclohexyl)oxyphosphanyl]oxy-9-oxo-10H-anthracen-1-yl]oxy-propylphosphinous acid?
[8-[hydroxy-(3-methylcyclohexyl)oxyphosphanyl]oxy-9-oxo-10H-anthracen-1-yl]oxy-propylphosphinous acid has a molecular weight of 476.45 g/mol, XLogP of 6.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[hydroxy-(3-methylcyclohexyl)oxyphosphanyl]oxy-9-oxo-10H-anthracen-1-yl]oxy-propylphosphinous acid is sourced from PubChem (CID 142850082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).