(3Z)-3-butylidene-8-methoxy-4H-chromen-2-one

C14H16O3 — CID 101133442

IUPAC(3Z)-3-butylidene-8-methoxy-4H-chromen-2-one
SMILESCCC/C=C1/Cc2cccc(OC)c2OC1=O
InChIInChI=1S/C14H16O3/c1-3-4-6-11-9-10-7-5-8-12(16-2)13(10)17-14(11)15/h5-8H,3-4,9H2,1-2H3/b11-6-
InChIKeyDKAZRJNYUCHEND-WDZFZDKYSA-N
MW232.28 g/mol
LogP2.88
Rot. Bonds3

About (3Z)-3-butylidene-8-methoxy-4H-chromen-2-one

(3Z)-3-butylidene-8-methoxy-4H-chromen-2-one (PubChem CID 101133442) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is (3Z)-3-butylidene-8-methoxy-4H-chromen-2-one.

Molecular Properties

Compound Name(3Z)-3-butylidene-8-methoxy-4H-chromen-2-one
PubChem CID101133442
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name(3Z)-3-butylidene-8-methoxy-4H-chromen-2-one
SMILESCCC/C=C1/Cc2cccc(OC)c2OC1=O
InChIInChI=1S/C14H16O3/c1-3-4-6-11-9-10-7-5-8-12(16-2)13(10)17-14(11)15/h5-8H,3-4,9H2,1-2H3/b11-6-
InChIKeyDKAZRJNYUCHEND-WDZFZDKYSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (3Z)-3-butylidene-8-methoxy-4H-chromen-2-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

(3Z)-8-methoxy-3-nonylidene-4H-chromen-2-one
CID 101133445
(6E)-6-butylidene-1-methoxy-5-methylidenecyclohexa-1,3-diene
CID 142354189
1,4-dihydroxy-2,10-dimethoxy-6H-benzo[b][1]benzoxepin-5-one
CID 15512489
1-chloro-5-methoxy-9H-xanthene
CID 14570239
2-(2-ethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 22516096
5-methoxy-3-methylsulfanyl-9H-xanthene
CID 23460520
(2Z)-2-[(7-methoxy-1-benzofuran-2-yl)methylidene]-3H-inden-1-one
CID 75362159
(3E)-3-[(2-methoxyphenyl)methylidene]oxolane-2,5-dione
CID 82158591
2-methoxybicyclo[4.1.0]hepta-1(6),2,4-triene;1-methoxypropane
CID 126566779
6-methoxy-12-oxo-10,11-dihydrobenzo[b][1]benzoxocine-2-carbaldehyde
CID 88523382
8-ethoxy-4H-chromen-3-one
CID 82604473
2-(4,9-dimethoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol
CID 136861327

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-butylidene-8-methoxy-4H-chromen-2-one?
The IUPAC name of (3Z)-3-butylidene-8-methoxy-4H-chromen-2-one (CID 101133442) is (3Z)-3-butylidene-8-methoxy-4H-chromen-2-one.
What is the SMILES notation for (3Z)-3-butylidene-8-methoxy-4H-chromen-2-one?
The canonical SMILES for (3Z)-3-butylidene-8-methoxy-4H-chromen-2-one is CCC/C=C1/Cc2cccc(OC)c2OC1=O.
What is the InChIKey of (3Z)-3-butylidene-8-methoxy-4H-chromen-2-one?
The InChIKey is DKAZRJNYUCHEND-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H16O3/c1-3-4-6-11-9-10-7-5-8-12(16-2)13(10)17-14(11)15/h5-8H,3-4,9H2,1-2H3/b11-6-.
What are the key properties of (3Z)-3-butylidene-8-methoxy-4H-chromen-2-one?
(3Z)-3-butylidene-8-methoxy-4H-chromen-2-one has a molecular weight of 232.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-butylidene-8-methoxy-4H-chromen-2-one is sourced from PubChem (CID 101133442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).