1-[6-(1-hydroxyethylidene)-5-phosphorosooxycyclohexa-2,4-dien-1-ylidene]ethanol

C10H11O4P — CID 173411387

IUPAC1-[6-(1-hydroxyethylidene)-5-phosphorosooxycyclohexa-2,4-dien-1-ylidene]ethanol
SMILESCC(O)=c1cccc(OP=O)c1=C(C)O
InChIInChI=1S/C10H11O4P/c1-6(11)8-4-3-5-9(14-15-13)10(8)7(2)12/h3-5,11-12H,1-2H3
InChIKeyUMXJSKZBLPACJA-UHFFFAOYSA-N
MW226.17 g/mol
LogP1.64
Rot. Bonds2

About 1-[6-(1-hydroxyethylidene)-5-phosphorosooxycyclohexa-2,4-dien-1-ylidene]ethanol

1-[6-(1-hydroxyethylidene)-5-phosphorosooxycyclohexa-2,4-dien-1-ylidene]ethanol (PubChem CID 173411387) has the molecular formula C10H11O4P and a molecular weight of 226.17 g/mol. Its IUPAC name is 1-[6-(1-hydroxyethylidene)-5-phosphorosooxycyclohexa-2,4-dien-1-ylidene]ethanol.

Molecular Properties

Compound Name1-[6-(1-hydroxyethylidene)-5-phosphorosooxycyclohexa-2,4-dien-1-ylidene]ethanol
PubChem CID173411387
Molecular FormulaC10H11O4P
Molecular Weight226.17 g/mol
Exact Mass226.04
IUPAC Name1-[6-(1-hydroxyethylidene)-5-phosphorosooxycyclohexa-2,4-dien-1-ylidene]ethanol
SMILESCC(O)=c1cccc(OP=O)c1=C(C)O
InChIInChI=1S/C10H11O4P/c1-6(11)8-4-3-5-9(14-15-13)10(8)7(2)12/h3-5,11-12H,1-2H3
InChIKeyUMXJSKZBLPACJA-UHFFFAOYSA-N
XLogP1.64
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.17
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[6-(1-hydroxyethylidene)-5-phosphorosooxycyclohexa-2,4-dien-1-ylidene]ethanol?
The IUPAC name of 1-[6-(1-hydroxyethylidene)-5-phosphorosooxycyclohexa-2,4-dien-1-ylidene]ethanol (CID 173411387) is 1-[6-(1-hydroxyethylidene)-5-phosphorosooxycyclohexa-2,4-dien-1-ylidene]ethanol.
What is the SMILES notation for 1-[6-(1-hydroxyethylidene)-5-phosphorosooxycyclohexa-2,4-dien-1-ylidene]ethanol?
The canonical SMILES for 1-[6-(1-hydroxyethylidene)-5-phosphorosooxycyclohexa-2,4-dien-1-ylidene]ethanol is CC(O)=c1cccc(OP=O)c1=C(C)O.
What is the InChIKey of 1-[6-(1-hydroxyethylidene)-5-phosphorosooxycyclohexa-2,4-dien-1-ylidene]ethanol?
The InChIKey is UMXJSKZBLPACJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O4P/c1-6(11)8-4-3-5-9(14-15-13)10(8)7(2)12/h3-5,11-12H,1-2H3.
What are the key properties of 1-[6-(1-hydroxyethylidene)-5-phosphorosooxycyclohexa-2,4-dien-1-ylidene]ethanol?
1-[6-(1-hydroxyethylidene)-5-phosphorosooxycyclohexa-2,4-dien-1-ylidene]ethanol has a molecular weight of 226.17 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-hydroxyethylidene)-5-phosphorosooxycyclohexa-2,4-dien-1-ylidene]ethanol is sourced from PubChem (CID 173411387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).