5,7-dichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol

C11H12Cl2O2 — CID 66555128

IUPAC5,7-dichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol
SMILESCC1(C)CCc2c(cc(Cl)c(O)c2Cl)O1
InChIInChI=1S/C11H12Cl2O2/c1-11(2)4-3-6-8(15-11)5-7(12)10(14)9(6)13/h5,14H,3-4H2,1-2H3
InChIKeyOHYZLFJDYAGFJE-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.80
Rot. Bonds

About 5,7-dichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol

5,7-dichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol (PubChem CID 66555128) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 5,7-dichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name5,7-dichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol
PubChem CID66555128
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name5,7-dichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol
SMILESCC1(C)CCc2c(cc(Cl)c(O)c2Cl)O1
InChIInChI=1S/C11H12Cl2O2/c1-11(2)4-3-6-8(15-11)5-7(12)10(14)9(6)13/h5,14H,3-4H2,1-2H3
InChIKeyOHYZLFJDYAGFJE-UHFFFAOYSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 5,7-dichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol (CID 66555128) is 5,7-dichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 5,7-dichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 5,7-dichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol is CC1(C)CCc2c(cc(Cl)c(O)c2Cl)O1.
What is the InChIKey of 5,7-dichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol?
The InChIKey is OHYZLFJDYAGFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c1-11(2)4-3-6-8(15-11)5-7(12)10(14)9(6)13/h5,14H,3-4H2,1-2H3.
What are the key properties of 5,7-dichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol?
5,7-dichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol has a molecular weight of 247.12 g/mol, XLogP of 3.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 66555128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).