4-cyclohexylbenzene-1,2-diol;4-phenylbenzene-1,2-diol;zirconium

C24H26O4Zr — CID 23558306

IUPAC4-cyclohexylbenzene-1,2-diol;4-phenylbenzene-1,2-diol;zirconium
SMILESOc1ccc(-c2ccccc2)cc1O.Oc1ccc(C2CCCCC2)cc1O.[Zr]
InChIInChI=1S/C12H16O2.C12H10O2.Zr/c2*13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9;/h6-9,13-14H,1-5H2;1-8,13-14H;
InChIKeyPOXVNMXDLGZPQD-UHFFFAOYSA-N
MW469.69 g/mol
LogP5.91
Rot. Bonds2

About 4-cyclohexylbenzene-1,2-diol;4-phenylbenzene-1,2-diol;zirconium

4-cyclohexylbenzene-1,2-diol;4-phenylbenzene-1,2-diol;zirconium (PubChem CID 23558306) has the molecular formula C24H26O4Zr and a molecular weight of 469.69 g/mol. Its IUPAC name is 4-cyclohexylbenzene-1,2-diol;4-phenylbenzene-1,2-diol;zirconium.

Molecular Properties

Compound Name4-cyclohexylbenzene-1,2-diol;4-phenylbenzene-1,2-diol;zirconium
PubChem CID23558306
Molecular FormulaC24H26O4Zr
Molecular Weight469.69 g/mol
Exact Mass468.09
IUPAC Name4-cyclohexylbenzene-1,2-diol;4-phenylbenzene-1,2-diol;zirconium
SMILESOc1ccc(-c2ccccc2)cc1O.Oc1ccc(C2CCCCC2)cc1O.[Zr]
InChIInChI=1S/C12H16O2.C12H10O2.Zr/c2*13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9;/h6-9,13-14H,1-5H2;1-8,13-14H;
InChIKeyPOXVNMXDLGZPQD-UHFFFAOYSA-N
XLogP5.91
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.69
LogP ≤ 55.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
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CID 19694694
1,1'-biphenyl;cyclohexylbenzene
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1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
4-[3-(3,4-dihydroxyphenyl)cyclohexyl]benzene-1,2-diol
CID 24750759
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
1-bromo-4-(4-cyclohexylphenyl)-2-phenylbenzene
CID 150910002
2,5-di(cyclononyl)phenol
CID 57426125
N-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline
CID 171439106
4-cyclodecyl-2-methylphenol
CID 153407623
4-cyclododecyl-2-fluorophenol
CID 146306960
4-cyclohexyl-2-[1,2,2-tris(5-cyclohexyl-2-hydroxyphenyl)ethenyl]phenol
CID 165388703

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylbenzene-1,2-diol;4-phenylbenzene-1,2-diol;zirconium?
The IUPAC name of 4-cyclohexylbenzene-1,2-diol;4-phenylbenzene-1,2-diol;zirconium (CID 23558306) is 4-cyclohexylbenzene-1,2-diol;4-phenylbenzene-1,2-diol;zirconium.
What is the SMILES notation for 4-cyclohexylbenzene-1,2-diol;4-phenylbenzene-1,2-diol;zirconium?
The canonical SMILES for 4-cyclohexylbenzene-1,2-diol;4-phenylbenzene-1,2-diol;zirconium is Oc1ccc(-c2ccccc2)cc1O.Oc1ccc(C2CCCCC2)cc1O.[Zr].
What is the InChIKey of 4-cyclohexylbenzene-1,2-diol;4-phenylbenzene-1,2-diol;zirconium?
The InChIKey is POXVNMXDLGZPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2.C12H10O2.Zr/c2*13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9;/h6-9,13-14H,1-5H2;1-8,13-14H;.
What are the key properties of 4-cyclohexylbenzene-1,2-diol;4-phenylbenzene-1,2-diol;zirconium?
4-cyclohexylbenzene-1,2-diol;4-phenylbenzene-1,2-diol;zirconium has a molecular weight of 469.69 g/mol, XLogP of 5.91, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylbenzene-1,2-diol;4-phenylbenzene-1,2-diol;zirconium is sourced from PubChem (CID 23558306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).