(3E)-3-[(Z)-but-2-enylidene]-6-tert-butyl-2-methylidenechromen-4-one

C18H20O2 — CID 89054156

IUPAC(3E)-3-[(Z)-but-2-enylidene]-6-tert-butyl-2-methylidenechromen-4-one
SMILESC=c1oc2ccc(C(C)(C)C)cc2c(=O)/c1=C/C=C\C
InChIInChI=1S/C18H20O2/c1-6-7-8-14-12(2)20-16-10-9-13(18(3,4)5)11-15(16)17(14)19/h6-11H,2H2,1,3-5H3/b7-6-,14-8+
InChIKeyVYNFABFFPWREIU-BHWOWGIZSA-N
MW268.36 g/mol
LogP2.86
Rot. Bonds1

About (3E)-3-[(Z)-but-2-enylidene]-6-tert-butyl-2-methylidenechromen-4-one

(3E)-3-[(Z)-but-2-enylidene]-6-tert-butyl-2-methylidenechromen-4-one (PubChem CID 89054156) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (3E)-3-[(Z)-but-2-enylidene]-6-tert-butyl-2-methylidenechromen-4-one.

Molecular Properties

Compound Name(3E)-3-[(Z)-but-2-enylidene]-6-tert-butyl-2-methylidenechromen-4-one
PubChem CID89054156
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(3E)-3-[(Z)-but-2-enylidene]-6-tert-butyl-2-methylidenechromen-4-one
SMILESC=c1oc2ccc(C(C)(C)C)cc2c(=O)/c1=C/C=C\C
InChIInChI=1S/C18H20O2/c1-6-7-8-14-12(2)20-16-10-9-13(18(3,4)5)11-15(16)17(14)19/h6-11H,2H2,1,3-5H3/b7-6-,14-8+
InChIKeyVYNFABFFPWREIU-BHWOWGIZSA-N
XLogP2.86
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3E)-3-[(Z)-but-2-enylidene]-6-tert-butyl-2-methylidenechromen-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2,7-ditert-butylxanthen-9-one
CID 10859809
2,8-ditert-butyldibenzofuran
CID 14914466
(3Z)-3-[(Z)-but-2-enylidene]-N-ethyl-2-methylidene-1-benzofuran-5-amine;chloromethane;1-fluoro-2-methylbenzene
CID 142075848
6-tert-butyl-1,3-benzoxazine-2,4-dione
CID 59410453
6-tert-butyl-4-hydroxychromen-2-one
CID 54694576
(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-N-naphthalen-2-yl-1-benzofuran-6-amine
CID 145276869
2-bromo-6-tert-butylxanthen-9-one
CID 146176297
2,7-bis[2-(4-methylphenyl)propan-2-yl]xanthen-9-one
CID 20631276
7-tert-butyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
CID 12689259
2-tert-butyl-5-methoxyxanthen-9-one
CID 164685848
2-acetamido-6-tert-butyl-4-oxochromene-3-carboxamide
CID 14151539
9-bromo-2-tert-butylbenzo[c]chromen-6-one
CID 102428910

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(Z)-but-2-enylidene]-6-tert-butyl-2-methylidenechromen-4-one?
The IUPAC name of (3E)-3-[(Z)-but-2-enylidene]-6-tert-butyl-2-methylidenechromen-4-one (CID 89054156) is (3E)-3-[(Z)-but-2-enylidene]-6-tert-butyl-2-methylidenechromen-4-one.
What is the SMILES notation for (3E)-3-[(Z)-but-2-enylidene]-6-tert-butyl-2-methylidenechromen-4-one?
The canonical SMILES for (3E)-3-[(Z)-but-2-enylidene]-6-tert-butyl-2-methylidenechromen-4-one is C=c1oc2ccc(C(C)(C)C)cc2c(=O)/c1=C/C=C\C.
What is the InChIKey of (3E)-3-[(Z)-but-2-enylidene]-6-tert-butyl-2-methylidenechromen-4-one?
The InChIKey is VYNFABFFPWREIU-BHWOWGIZSA-N. The full InChI is InChI=1S/C18H20O2/c1-6-7-8-14-12(2)20-16-10-9-13(18(3,4)5)11-15(16)17(14)19/h6-11H,2H2,1,3-5H3/b7-6-,14-8+.
What are the key properties of (3E)-3-[(Z)-but-2-enylidene]-6-tert-butyl-2-methylidenechromen-4-one?
(3E)-3-[(Z)-but-2-enylidene]-6-tert-butyl-2-methylidenechromen-4-one has a molecular weight of 268.36 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(Z)-but-2-enylidene]-6-tert-butyl-2-methylidenechromen-4-one is sourced from PubChem (CID 89054156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).