(4Z)-4-[(Z)-but-2-enylidene]-2-(hydroxymethyl)-6-methoxy-3-methylidenecyclohexa-1,5-dien-1-ol

C13H16O3 — CID 126763483

IUPAC(4Z)-4-[(Z)-but-2-enylidene]-2-(hydroxymethyl)-6-methoxy-3-methylidenecyclohexa-1,5-dien-1-ol
SMILESC=c1c(CO)c(O)c(OC)c/c1=C/C=C\C
InChIInChI=1S/C13H16O3/c1-4-5-6-10-7-12(16-3)13(15)11(8-14)9(10)2/h4-7,14-15H,2,8H2,1,3H3/b5-4-,10-6-
InChIKeyFHMKSPPTLBINQO-ARSRRCBKSA-N
MW220.27 g/mol
LogP0.66
Rot. Bonds3

About (4Z)-4-[(Z)-but-2-enylidene]-2-(hydroxymethyl)-6-methoxy-3-methylidenecyclohexa-1,5-dien-1-ol

(4Z)-4-[(Z)-but-2-enylidene]-2-(hydroxymethyl)-6-methoxy-3-methylidenecyclohexa-1,5-dien-1-ol (PubChem CID 126763483) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (4Z)-4-[(Z)-but-2-enylidene]-2-(hydroxymethyl)-6-methoxy-3-methylidenecyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name(4Z)-4-[(Z)-but-2-enylidene]-2-(hydroxymethyl)-6-methoxy-3-methylidenecyclohexa-1,5-dien-1-ol
PubChem CID126763483
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(4Z)-4-[(Z)-but-2-enylidene]-2-(hydroxymethyl)-6-methoxy-3-methylidenecyclohexa-1,5-dien-1-ol
SMILESC=c1c(CO)c(O)c(OC)c/c1=C/C=C\C
InChIInChI=1S/C13H16O3/c1-4-5-6-10-7-12(16-3)13(15)11(8-14)9(10)2/h4-7,14-15H,2,8H2,1,3H3/b5-4-,10-6-
InChIKeyFHMKSPPTLBINQO-ARSRRCBKSA-N
XLogP0.66
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4Z)-4-[(Z)-but-2-enylidene]-2-(hydroxymethyl)-6-methoxy-3-methylidenecyclohexa-1,5-dien-1-ol 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 (4Z)-4-[(Z)-but-2-enylidene]-2-(hydroxymethyl)-6-methoxy-3-methylidenecyclohexa-1,5-dien-1-ol?
The IUPAC name of (4Z)-4-[(Z)-but-2-enylidene]-2-(hydroxymethyl)-6-methoxy-3-methylidenecyclohexa-1,5-dien-1-ol (CID 126763483) is (4Z)-4-[(Z)-but-2-enylidene]-2-(hydroxymethyl)-6-methoxy-3-methylidenecyclohexa-1,5-dien-1-ol.
What is the SMILES notation for (4Z)-4-[(Z)-but-2-enylidene]-2-(hydroxymethyl)-6-methoxy-3-methylidenecyclohexa-1,5-dien-1-ol?
The canonical SMILES for (4Z)-4-[(Z)-but-2-enylidene]-2-(hydroxymethyl)-6-methoxy-3-methylidenecyclohexa-1,5-dien-1-ol is C=c1c(CO)c(O)c(OC)c/c1=C/C=C\C.
What is the InChIKey of (4Z)-4-[(Z)-but-2-enylidene]-2-(hydroxymethyl)-6-methoxy-3-methylidenecyclohexa-1,5-dien-1-ol?
The InChIKey is FHMKSPPTLBINQO-ARSRRCBKSA-N. The full InChI is InChI=1S/C13H16O3/c1-4-5-6-10-7-12(16-3)13(15)11(8-14)9(10)2/h4-7,14-15H,2,8H2,1,3H3/b5-4-,10-6-.
What are the key properties of (4Z)-4-[(Z)-but-2-enylidene]-2-(hydroxymethyl)-6-methoxy-3-methylidenecyclohexa-1,5-dien-1-ol?
(4Z)-4-[(Z)-but-2-enylidene]-2-(hydroxymethyl)-6-methoxy-3-methylidenecyclohexa-1,5-dien-1-ol has a molecular weight of 220.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(Z)-but-2-enylidene]-2-(hydroxymethyl)-6-methoxy-3-methylidenecyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 126763483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).