6-chloro-1-methyl-4-methylidene-1H-isochromene

C11H11ClO — CID 171640882

IUPAC6-chloro-1-methyl-4-methylidene-1H-isochromene
SMILESC=C1COC(C)c2ccc(Cl)cc21
InChIInChI=1S/C11H11ClO/c1-7-6-13-8(2)10-4-3-9(12)5-11(7)10/h3-5,8H,1,6H2,2H3
InChIKeyALYWGLIXOYBOOF-UHFFFAOYSA-N
MW194.66 g/mol
LogP3.44
Rot. Bonds

About 6-chloro-1-methyl-4-methylidene-1H-isochromene

6-chloro-1-methyl-4-methylidene-1H-isochromene (PubChem CID 171640882) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is 6-chloro-1-methyl-4-methylidene-1H-isochromene.

Molecular Properties

Compound Name6-chloro-1-methyl-4-methylidene-1H-isochromene
PubChem CID171640882
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name6-chloro-1-methyl-4-methylidene-1H-isochromene
SMILESC=C1COC(C)c2ccc(Cl)cc21
InChIInChI=1S/C11H11ClO/c1-7-6-13-8(2)10-4-3-9(12)5-11(7)10/h3-5,8H,1,6H2,2H3
InChIKeyALYWGLIXOYBOOF-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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6-bromo-3-chloro-9-methyl-7-methylidene-8,9-dihydrobenzo[7]annulene
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(3S,3aR,6R)-6-(2,4-dichlorophenyl)-3-methyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole
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6-chloro-2-methyl-1-benzofuran-3-one
CID 19384688
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-4-methylidene-1H-isochromene?
The IUPAC name of 6-chloro-1-methyl-4-methylidene-1H-isochromene (CID 171640882) is 6-chloro-1-methyl-4-methylidene-1H-isochromene.
What is the SMILES notation for 6-chloro-1-methyl-4-methylidene-1H-isochromene?
The canonical SMILES for 6-chloro-1-methyl-4-methylidene-1H-isochromene is C=C1COC(C)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-methyl-4-methylidene-1H-isochromene?
The InChIKey is ALYWGLIXOYBOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO/c1-7-6-13-8(2)10-4-3-9(12)5-11(7)10/h3-5,8H,1,6H2,2H3.
What are the key properties of 6-chloro-1-methyl-4-methylidene-1H-isochromene?
6-chloro-1-methyl-4-methylidene-1H-isochromene has a molecular weight of 194.66 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-4-methylidene-1H-isochromene is sourced from PubChem (CID 171640882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).