4-bromo-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-3-ol

C11H11BrCl2O2 — CID 18783120

IUPAC4-bromo-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-3-ol
SMILESCC1(C)Oc2c(Cl)cc(Cl)cc2C(Br)C1O
InChIInChI=1S/C11H11BrCl2O2/c1-11(2)10(15)8(12)6-3-5(13)4-7(14)9(6)16-11/h3-4,8,10,15H,1-2H3
InChIKeyWUXLIRTUXHXRNA-UHFFFAOYSA-N
MW326.02 g/mol
LogP3.96
Rot. Bonds

About 4-bromo-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-3-ol

4-bromo-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-3-ol (PubChem CID 18783120) has the molecular formula C11H11BrCl2O2 and a molecular weight of 326.02 g/mol. Its IUPAC name is 4-bromo-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-3-ol.

Molecular Properties

Compound Name4-bromo-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-3-ol
PubChem CID18783120
Molecular FormulaC11H11BrCl2O2
Molecular Weight326.02 g/mol
Exact Mass323.93
IUPAC Name4-bromo-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-3-ol
SMILESCC1(C)Oc2c(Cl)cc(Cl)cc2C(Br)C1O
InChIInChI=1S/C11H11BrCl2O2/c1-11(2)10(15)8(12)6-3-5(13)4-7(14)9(6)16-11/h3-4,8,10,15H,1-2H3
InChIKeyWUXLIRTUXHXRNA-UHFFFAOYSA-N
XLogP3.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.02
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-3-ol?
The IUPAC name of 4-bromo-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-3-ol (CID 18783120) is 4-bromo-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-3-ol.
What is the SMILES notation for 4-bromo-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-3-ol?
The canonical SMILES for 4-bromo-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-3-ol is CC1(C)Oc2c(Cl)cc(Cl)cc2C(Br)C1O.
What is the InChIKey of 4-bromo-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-3-ol?
The InChIKey is WUXLIRTUXHXRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrCl2O2/c1-11(2)10(15)8(12)6-3-5(13)4-7(14)9(6)16-11/h3-4,8,10,15H,1-2H3.
What are the key properties of 4-bromo-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-3-ol?
4-bromo-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-3-ol has a molecular weight of 326.02 g/mol, XLogP of 3.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-3-ol is sourced from PubChem (CID 18783120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).