6-chloro-2,2-dimethyl-3,4-dihydrochromene

C11H13ClO — CID 11769444

IUPAC6-chloro-2,2-dimethyl-3,4-dihydrochromene
SMILESCC1(C)CCc2cc(Cl)ccc2O1
InChIInChI=1S/C11H13ClO/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11/h3-4,7H,5-6H2,1-2H3
InChIKeySRPXOPCIOVDZNI-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.44
Rot. Bonds

About 6-chloro-2,2-dimethyl-3,4-dihydrochromene

6-chloro-2,2-dimethyl-3,4-dihydrochromene (PubChem CID 11769444) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 6-chloro-2,2-dimethyl-3,4-dihydrochromene.

Molecular Properties

Compound Name6-chloro-2,2-dimethyl-3,4-dihydrochromene
PubChem CID11769444
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name6-chloro-2,2-dimethyl-3,4-dihydrochromene
SMILESCC1(C)CCc2cc(Cl)ccc2O1
InChIInChI=1S/C11H13ClO/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11/h3-4,7H,5-6H2,1-2H3
InChIKeySRPXOPCIOVDZNI-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 ≤ 500196.68
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene
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(1R)-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine
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CID 68879023
CID 68879023
6-chloro-2,2-dimethyl-3H-1-benzofuran
CID 13333889
(2,2-dimethyl-3,4-dihydrochromen-6-yl)methanesulfonyl chloride
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2,2-dimethyl-3,4-dihydrochromene-6-sulfonic acid
CID 87681776
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2-dimethyl-3,4-dihydrochromene?
The IUPAC name of 6-chloro-2,2-dimethyl-3,4-dihydrochromene (CID 11769444) is 6-chloro-2,2-dimethyl-3,4-dihydrochromene.
What is the SMILES notation for 6-chloro-2,2-dimethyl-3,4-dihydrochromene?
The canonical SMILES for 6-chloro-2,2-dimethyl-3,4-dihydrochromene is CC1(C)CCc2cc(Cl)ccc2O1.
What is the InChIKey of 6-chloro-2,2-dimethyl-3,4-dihydrochromene?
The InChIKey is SRPXOPCIOVDZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 6-chloro-2,2-dimethyl-3,4-dihydrochromene?
6-chloro-2,2-dimethyl-3,4-dihydrochromene has a molecular weight of 196.68 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-2,2-dimethyl-3,4-dihydrochromene is sourced from PubChem (CID 11769444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).