7-methyl-3-methylidene-4H-chromene

C11H12O — CID 143707697

IUPAC7-methyl-3-methylidene-4H-chromene
SMILESC=C1COc2cc(C)ccc2C1
InChIInChI=1S/C11H12O/c1-8-3-4-10-5-9(2)7-12-11(10)6-8/h3-4,6H,2,5,7H2,1H3
InChIKeyFXTMXWKEACZGLQ-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.49
Rot. Bonds

About 7-methyl-3-methylidene-4H-chromene

7-methyl-3-methylidene-4H-chromene (PubChem CID 143707697) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 7-methyl-3-methylidene-4H-chromene.

Molecular Properties

Compound Name7-methyl-3-methylidene-4H-chromene
PubChem CID143707697
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name7-methyl-3-methylidene-4H-chromene
SMILESC=C1COc2cc(C)ccc2C1
InChIInChI=1S/C11H12O/c1-8-3-4-10-5-9(2)7-12-11(10)6-8/h3-4,6H,2,5,7H2,1H3
InChIKeyFXTMXWKEACZGLQ-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-methylidene-4H-chromene?
The IUPAC name of 7-methyl-3-methylidene-4H-chromene (CID 143707697) is 7-methyl-3-methylidene-4H-chromene.
What is the SMILES notation for 7-methyl-3-methylidene-4H-chromene?
The canonical SMILES for 7-methyl-3-methylidene-4H-chromene is C=C1COc2cc(C)ccc2C1.
What is the InChIKey of 7-methyl-3-methylidene-4H-chromene?
The InChIKey is FXTMXWKEACZGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-8-3-4-10-5-9(2)7-12-11(10)6-8/h3-4,6H,2,5,7H2,1H3.
What are the key properties of 7-methyl-3-methylidene-4H-chromene?
7-methyl-3-methylidene-4H-chromene has a molecular weight of 160.22 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-methylidene-4H-chromene is sourced from PubChem (CID 143707697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).