8-methoxy-3-methylidenechromen-4-one

C11H10O3 — CID 82277876

IUPAC8-methoxy-3-methylidenechromen-4-one
SMILESC=C1COc2c(OC)cccc2C1=O
InChIInChI=1S/C11H10O3/c1-7-6-14-11-8(10(7)12)4-3-5-9(11)13-2/h3-5H,1,6H2,2H3
InChIKeyBJIYHUDGFMQMFQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.83
Rot. Bonds1

About 8-methoxy-3-methylidenechromen-4-one

8-methoxy-3-methylidenechromen-4-one (PubChem CID 82277876) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 8-methoxy-3-methylidenechromen-4-one.

Molecular Properties

Compound Name8-methoxy-3-methylidenechromen-4-one
PubChem CID82277876
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name8-methoxy-3-methylidenechromen-4-one
SMILESC=C1COc2c(OC)cccc2C1=O
InChIInChI=1S/C11H10O3/c1-7-6-14-11-8(10(7)12)4-3-5-9(11)13-2/h3-5H,1,6H2,2H3
InChIKeyBJIYHUDGFMQMFQ-UHFFFAOYSA-N
XLogP1.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-methylidenechromen-4-one?
The IUPAC name of 8-methoxy-3-methylidenechromen-4-one (CID 82277876) is 8-methoxy-3-methylidenechromen-4-one.
What is the SMILES notation for 8-methoxy-3-methylidenechromen-4-one?
The canonical SMILES for 8-methoxy-3-methylidenechromen-4-one is C=C1COc2c(OC)cccc2C1=O.
What is the InChIKey of 8-methoxy-3-methylidenechromen-4-one?
The InChIKey is BJIYHUDGFMQMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-7-6-14-11-8(10(7)12)4-3-5-9(11)13-2/h3-5H,1,6H2,2H3.
What are the key properties of 8-methoxy-3-methylidenechromen-4-one?
8-methoxy-3-methylidenechromen-4-one has a molecular weight of 190.20 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-methylidenechromen-4-one is sourced from PubChem (CID 82277876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).