(4Z)-6-methoxy-4-(1-methylsulfanylethylidene)cyclohexa-1,5-dien-1-ol

C10H14O2S — CID 139307737

IUPAC(4Z)-6-methoxy-4-(1-methylsulfanylethylidene)cyclohexa-1,5-dien-1-ol
SMILESCOC1=C/C(=C(/C)SC)CC=C1O
InChIInChI=1S/C10H14O2S/c1-7(13-3)8-4-5-9(11)10(6-8)12-2/h5-6,11H,4H2,1-3H3/b8-7-
InChIKeySIGGEUWNRIVTPT-FPLPWBNLSA-N
MW198.29 g/mol
LogP3.00
Rot. Bonds2

About (4Z)-6-methoxy-4-(1-methylsulfanylethylidene)cyclohexa-1,5-dien-1-ol

(4Z)-6-methoxy-4-(1-methylsulfanylethylidene)cyclohexa-1,5-dien-1-ol (PubChem CID 139307737) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is (4Z)-6-methoxy-4-(1-methylsulfanylethylidene)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name(4Z)-6-methoxy-4-(1-methylsulfanylethylidene)cyclohexa-1,5-dien-1-ol
PubChem CID139307737
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name(4Z)-6-methoxy-4-(1-methylsulfanylethylidene)cyclohexa-1,5-dien-1-ol
SMILESCOC1=C/C(=C(/C)SC)CC=C1O
InChIInChI=1S/C10H14O2S/c1-7(13-3)8-4-5-9(11)10(6-8)12-2/h5-6,11H,4H2,1-3H3/b8-7-
InChIKeySIGGEUWNRIVTPT-FPLPWBNLSA-N
XLogP3.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4Z)-6-methoxy-4-(1-methylsulfanylethylidene)cyclohexa-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)-6-methoxy-4-(1-methylsulfanylethylidene)cyclohexa-1,5-dien-1-ol?
The IUPAC name of (4Z)-6-methoxy-4-(1-methylsulfanylethylidene)cyclohexa-1,5-dien-1-ol (CID 139307737) is (4Z)-6-methoxy-4-(1-methylsulfanylethylidene)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for (4Z)-6-methoxy-4-(1-methylsulfanylethylidene)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for (4Z)-6-methoxy-4-(1-methylsulfanylethylidene)cyclohexa-1,5-dien-1-ol is COC1=C/C(=C(/C)SC)CC=C1O.
What is the InChIKey of (4Z)-6-methoxy-4-(1-methylsulfanylethylidene)cyclohexa-1,5-dien-1-ol?
The InChIKey is SIGGEUWNRIVTPT-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H14O2S/c1-7(13-3)8-4-5-9(11)10(6-8)12-2/h5-6,11H,4H2,1-3H3/b8-7-.
What are the key properties of (4Z)-6-methoxy-4-(1-methylsulfanylethylidene)cyclohexa-1,5-dien-1-ol?
(4Z)-6-methoxy-4-(1-methylsulfanylethylidene)cyclohexa-1,5-dien-1-ol has a molecular weight of 198.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-methoxy-4-(1-methylsulfanylethylidene)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 139307737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).