hafnium;4-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene-6-id-1-ol

C12H11HfO2- — CID 170755983

IUPAChafnium;4-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene-6-id-1-ol
SMILESC=C/C=C(\C=C)Oc1c[c-]c(O)cc1.[Hf]
InChIInChI=1S/C12H11O2.Hf/c1-3-5-11(4-2)14-12-8-6-10(13)7-9-12;/h3-6,8-9,13H,1-2H2;/q-1;/b11-5+;
InChIKeyGPZIASRBDIVWBU-HMXKFKBXSA-N
MW365.71 g/mol
LogP2.82
Rot. Bonds4

About hafnium;4-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene-6-id-1-ol

hafnium;4-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene-6-id-1-ol (PubChem CID 170755983) has the molecular formula C12H11HfO2- and a molecular weight of 365.71 g/mol. Its IUPAC name is hafnium;4-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene-6-id-1-ol.

Molecular Properties

Compound Namehafnium;4-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene-6-id-1-ol
PubChem CID170755983
Molecular FormulaC12H11HfO2-
Molecular Weight365.71 g/mol
Exact Mass367.02
IUPAC Namehafnium;4-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene-6-id-1-ol
SMILESC=C/C=C(\C=C)Oc1c[c-]c(O)cc1.[Hf]
InChIInChI=1S/C12H11O2.Hf/c1-3-5-11(4-2)14-12-8-6-10(13)7-9-12;/h3-6,8-9,13H,1-2H2;/q-1;/b11-5+;
InChIKeyGPZIASRBDIVWBU-HMXKFKBXSA-N
XLogP2.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.71
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-4-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]propan-2-yl]benzene
CID 142614427
ethane;1-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene
CID 144940147
1-methyl-4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]oxybenzene
CID 167286021
[(3E)-hepta-1,3,5-trien-4-yl]oxybenzene
CID 142809122
1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-3-(methoxymethyl)benzene
CID 143729565
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene
CID 142063297
1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphenyl]ethanone
CID 139496919
1-methyl-4-penta-1,3-dien-3-yloxybenzene
CID 123811564
ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1,2-dimethylbenzene
CID 143523190
2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylaniline
CID 142908108
[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyphenyl]-diiodoborane
CID 144914251
2-amino-3-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxyphenyl]sulfonyl-N-hydroxy-2-methylpropanamide
CID 142029496

Frequently Asked Questions

What is the IUPAC name of hafnium;4-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene-6-id-1-ol?
The IUPAC name of hafnium;4-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene-6-id-1-ol (CID 170755983) is hafnium;4-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene-6-id-1-ol.
What is the SMILES notation for hafnium;4-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene-6-id-1-ol?
The canonical SMILES for hafnium;4-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene-6-id-1-ol is C=C/C=C(\C=C)Oc1c[c-]c(O)cc1.[Hf].
What is the InChIKey of hafnium;4-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene-6-id-1-ol?
The InChIKey is GPZIASRBDIVWBU-HMXKFKBXSA-N. The full InChI is InChI=1S/C12H11O2.Hf/c1-3-5-11(4-2)14-12-8-6-10(13)7-9-12;/h3-6,8-9,13H,1-2H2;/q-1;/b11-5+;.
What are the key properties of hafnium;4-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene-6-id-1-ol?
hafnium;4-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene-6-id-1-ol has a molecular weight of 365.71 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;4-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene-6-id-1-ol is sourced from PubChem (CID 170755983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).