6-[2-[3-[2-(6-hydroxycyclohexa-2,4-dien-1-ylidene)ethylideneamino]propylimino]ethylidene]cyclohexa-2,4-dien-1-ol

C19H22N2O2 — CID 71328612

IUPAC6-[2-[3-[2-(6-hydroxycyclohexa-2,4-dien-1-ylidene)ethylideneamino]propylimino]ethylidene]cyclohexa-2,4-dien-1-ol
SMILESOC1C=CC=CC1=C/C=N/CCC/N=C/C=C1C=CC=CC1O
InChIInChI=1S/C19H22N2O2/c22-18-8-3-1-6-16(18)10-14-20-12-5-13-21-15-11-17-7-2-4-9-19(17)23/h1-4,6-11,14-15,18-19,22-23H,5,12-13H2/b16-10?,17-11?,20-14+,21-15+
InChIKeyRYFZIMYZXRSSOY-AEFSYEQISA-N
MW310.40 g/mol
LogP2.34
Rot. Bonds6

About 6-[2-[3-[2-(6-hydroxycyclohexa-2,4-dien-1-ylidene)ethylideneamino]propylimino]ethylidene]cyclohexa-2,4-dien-1-ol

6-[2-[3-[2-(6-hydroxycyclohexa-2,4-dien-1-ylidene)ethylideneamino]propylimino]ethylidene]cyclohexa-2,4-dien-1-ol (PubChem CID 71328612) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-[2-[3-[2-(6-hydroxycyclohexa-2,4-dien-1-ylidene)ethylideneamino]propylimino]ethylidene]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-[2-[3-[2-(6-hydroxycyclohexa-2,4-dien-1-ylidene)ethylideneamino]propylimino]ethylidene]cyclohexa-2,4-dien-1-ol
PubChem CID71328612
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name6-[2-[3-[2-(6-hydroxycyclohexa-2,4-dien-1-ylidene)ethylideneamino]propylimino]ethylidene]cyclohexa-2,4-dien-1-ol
SMILESOC1C=CC=CC1=C/C=N/CCC/N=C/C=C1C=CC=CC1O
InChIInChI=1S/C19H22N2O2/c22-18-8-3-1-6-16(18)10-14-20-12-5-13-21-15-11-17-7-2-4-9-19(17)23/h1-4,6-11,14-15,18-19,22-23H,5,12-13H2/b16-10?,17-11?,20-14+,21-15+
InChIKeyRYFZIMYZXRSSOY-AEFSYEQISA-N
XLogP2.34
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-[2-(6-hydroxycyclohexa-2,4-dien-1-ylidene)ethylideneamino]propylimino]ethylidene]cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-[2-[3-[2-(6-hydroxycyclohexa-2,4-dien-1-ylidene)ethylideneamino]propylimino]ethylidene]cyclohexa-2,4-dien-1-ol (CID 71328612) is 6-[2-[3-[2-(6-hydroxycyclohexa-2,4-dien-1-ylidene)ethylideneamino]propylimino]ethylidene]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-[2-[3-[2-(6-hydroxycyclohexa-2,4-dien-1-ylidene)ethylideneamino]propylimino]ethylidene]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-[2-[3-[2-(6-hydroxycyclohexa-2,4-dien-1-ylidene)ethylideneamino]propylimino]ethylidene]cyclohexa-2,4-dien-1-ol is OC1C=CC=CC1=C/C=N/CCC/N=C/C=C1C=CC=CC1O.
What is the InChIKey of 6-[2-[3-[2-(6-hydroxycyclohexa-2,4-dien-1-ylidene)ethylideneamino]propylimino]ethylidene]cyclohexa-2,4-dien-1-ol?
The InChIKey is RYFZIMYZXRSSOY-AEFSYEQISA-N. The full InChI is InChI=1S/C19H22N2O2/c22-18-8-3-1-6-16(18)10-14-20-12-5-13-21-15-11-17-7-2-4-9-19(17)23/h1-4,6-11,14-15,18-19,22-23H,5,12-13H2/b16-10?,17-11?,20-14+,21-15+.
What are the key properties of 6-[2-[3-[2-(6-hydroxycyclohexa-2,4-dien-1-ylidene)ethylideneamino]propylimino]ethylidene]cyclohexa-2,4-dien-1-ol?
6-[2-[3-[2-(6-hydroxycyclohexa-2,4-dien-1-ylidene)ethylideneamino]propylimino]ethylidene]cyclohexa-2,4-dien-1-ol has a molecular weight of 310.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-[2-(6-hydroxycyclohexa-2,4-dien-1-ylidene)ethylideneamino]propylimino]ethylidene]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 71328612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).