6-chloro-2,2-dimethylchromene

C11H11ClO — CID 10241742

IUPAC6-chloro-2,2-dimethylchromene
SMILESCC1(C)C=Cc2cc(Cl)ccc2O1
InChIInChI=1S/C11H11ClO/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11/h3-7H,1-2H3
InChIKeyPOHWVMUYMAAFBQ-UHFFFAOYSA-N
MW194.66 g/mol
LogP3.52
Rot. Bonds

About 6-chloro-2,2-dimethylchromene

6-chloro-2,2-dimethylchromene (PubChem CID 10241742) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is 6-chloro-2,2-dimethylchromene.

Molecular Properties

Compound Name6-chloro-2,2-dimethylchromene
PubChem CID10241742
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name6-chloro-2,2-dimethylchromene
SMILESCC1(C)C=Cc2cc(Cl)ccc2O1
InChIInChI=1S/C11H11ClO/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11/h3-7H,1-2H3
InChIKeyPOHWVMUYMAAFBQ-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2-dimethylchromene?
The IUPAC name of 6-chloro-2,2-dimethylchromene (CID 10241742) is 6-chloro-2,2-dimethylchromene.
What is the SMILES notation for 6-chloro-2,2-dimethylchromene?
The canonical SMILES for 6-chloro-2,2-dimethylchromene is CC1(C)C=Cc2cc(Cl)ccc2O1.
What is the InChIKey of 6-chloro-2,2-dimethylchromene?
The InChIKey is POHWVMUYMAAFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11/h3-7H,1-2H3.
What are the key properties of 6-chloro-2,2-dimethylchromene?
6-chloro-2,2-dimethylchromene has a molecular weight of 194.66 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2-dimethylchromene is sourced from PubChem (CID 10241742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).