6-[[4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)methylideneamino]phenyl]iminomethylidene]cyclohexa-2,4-dien-1-ol

C20H16N2O2 — CID 142667021

IUPAC6-[[4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)methylideneamino]phenyl]iminomethylidene]cyclohexa-2,4-dien-1-ol
SMILESOC1C=CC=CC1=C=Nc1ccc(N=C=C2C=CC=CC2O)cc1
InChIInChI=1S/C20H16N2O2/c23-19-7-3-1-5-15(19)13-21-17-9-11-18(12-10-17)22-14-16-6-2-4-8-20(16)24/h1-12,19-20,23-24H
InChIKeyXTZUSPGCLMRRRB-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.12
Rot. Bonds2

About 6-[[4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)methylideneamino]phenyl]iminomethylidene]cyclohexa-2,4-dien-1-ol

6-[[4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)methylideneamino]phenyl]iminomethylidene]cyclohexa-2,4-dien-1-ol (PubChem CID 142667021) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-[[4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)methylideneamino]phenyl]iminomethylidene]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-[[4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)methylideneamino]phenyl]iminomethylidene]cyclohexa-2,4-dien-1-ol
PubChem CID142667021
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name6-[[4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)methylideneamino]phenyl]iminomethylidene]cyclohexa-2,4-dien-1-ol
SMILESOC1C=CC=CC1=C=Nc1ccc(N=C=C2C=CC=CC2O)cc1
InChIInChI=1S/C20H16N2O2/c23-19-7-3-1-5-15(19)13-21-17-9-11-18(12-10-17)22-14-16-6-2-4-8-20(16)24/h1-12,19-20,23-24H
InChIKeyXTZUSPGCLMRRRB-UHFFFAOYSA-N
XLogP3.12
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)methylideneamino]phenyl]iminomethylidene]cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-[[4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)methylideneamino]phenyl]iminomethylidene]cyclohexa-2,4-dien-1-ol (CID 142667021) is 6-[[4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)methylideneamino]phenyl]iminomethylidene]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-[[4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)methylideneamino]phenyl]iminomethylidene]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-[[4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)methylideneamino]phenyl]iminomethylidene]cyclohexa-2,4-dien-1-ol is OC1C=CC=CC1=C=Nc1ccc(N=C=C2C=CC=CC2O)cc1.
What is the InChIKey of 6-[[4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)methylideneamino]phenyl]iminomethylidene]cyclohexa-2,4-dien-1-ol?
The InChIKey is XTZUSPGCLMRRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-19-7-3-1-5-15(19)13-21-17-9-11-18(12-10-17)22-14-16-6-2-4-8-20(16)24/h1-12,19-20,23-24H.
What are the key properties of 6-[[4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)methylideneamino]phenyl]iminomethylidene]cyclohexa-2,4-dien-1-ol?
6-[[4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)methylideneamino]phenyl]iminomethylidene]cyclohexa-2,4-dien-1-ol has a molecular weight of 316.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(6-hydroxycyclohexa-2,4-dien-1-ylidene)methylideneamino]phenyl]iminomethylidene]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 142667021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).