[(3Z)-5-[2-hydroxy-4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-1,3,5-trien-2-yl] hypofluorite

C18H19FO3 — CID 144772101

IUPAC[(3Z)-5-[2-hydroxy-4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-1,3,5-trien-2-yl] hypofluorite
SMILESC=C(/C=C\C(=C)C1=C(O)C=C(C2=CC=C(O)CC2)CC1)OF
InChIInChI=1S/C18H19FO3/c1-12(3-4-13(2)22-19)17-10-7-15(11-18(17)21)14-5-8-16(20)9-6-14/h3-5,8,11,20-21H,1-2,6-7,9-10H2/b4-3-
InChIKeyWBBQJCRLFHEEII-ARJAWSKDSA-N
MW302.35 g/mol
LogP5.21
Rot. Bonds5

About [(3Z)-5-[2-hydroxy-4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-1,3,5-trien-2-yl] hypofluorite

[(3Z)-5-[2-hydroxy-4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-1,3,5-trien-2-yl] hypofluorite (PubChem CID 144772101) has the molecular formula C18H19FO3 and a molecular weight of 302.35 g/mol. Its IUPAC name is [(3Z)-5-[2-hydroxy-4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-1,3,5-trien-2-yl] hypofluorite.

Molecular Properties

Compound Name[(3Z)-5-[2-hydroxy-4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-1,3,5-trien-2-yl] hypofluorite
PubChem CID144772101
Molecular FormulaC18H19FO3
Molecular Weight302.35 g/mol
Exact Mass302.13
IUPAC Name[(3Z)-5-[2-hydroxy-4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-1,3,5-trien-2-yl] hypofluorite
SMILESC=C(/C=C\C(=C)C1=C(O)C=C(C2=CC=C(O)CC2)CC1)OF
InChIInChI=1S/C18H19FO3/c1-12(3-4-13(2)22-19)17-10-7-15(11-18(17)21)14-5-8-16(20)9-6-14/h3-5,8,11,20-21H,1-2,6-7,9-10H2/b4-3-
InChIKeyWBBQJCRLFHEEII-ARJAWSKDSA-N
XLogP5.21
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.35
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3Z)-5-[2-hydroxy-4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-1,3,5-trien-2-yl] hypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3Z)-5-[2-hydroxy-4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-1,3,5-trien-2-yl] hypofluorite?
The IUPAC name of [(3Z)-5-[2-hydroxy-4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-1,3,5-trien-2-yl] hypofluorite (CID 144772101) is [(3Z)-5-[2-hydroxy-4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-1,3,5-trien-2-yl] hypofluorite.
What is the SMILES notation for [(3Z)-5-[2-hydroxy-4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-1,3,5-trien-2-yl] hypofluorite?
The canonical SMILES for [(3Z)-5-[2-hydroxy-4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-1,3,5-trien-2-yl] hypofluorite is C=C(/C=C\C(=C)C1=C(O)C=C(C2=CC=C(O)CC2)CC1)OF.
What is the InChIKey of [(3Z)-5-[2-hydroxy-4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-1,3,5-trien-2-yl] hypofluorite?
The InChIKey is WBBQJCRLFHEEII-ARJAWSKDSA-N. The full InChI is InChI=1S/C18H19FO3/c1-12(3-4-13(2)22-19)17-10-7-15(11-18(17)21)14-5-8-16(20)9-6-14/h3-5,8,11,20-21H,1-2,6-7,9-10H2/b4-3-.
What are the key properties of [(3Z)-5-[2-hydroxy-4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-1,3,5-trien-2-yl] hypofluorite?
[(3Z)-5-[2-hydroxy-4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-1,3,5-trien-2-yl] hypofluorite has a molecular weight of 302.35 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-5-[2-hydroxy-4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-1,3,5-trien-2-yl] hypofluorite is sourced from PubChem (CID 144772101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).