5,7,8-trichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol

C11H11Cl3O2 — CID 66554959

IUPAC5,7,8-trichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol
SMILESCC1(C)CCc2c(Cl)c(O)c(Cl)c(Cl)c2O1
InChIInChI=1S/C11H11Cl3O2/c1-11(2)4-3-5-6(12)9(15)7(13)8(14)10(5)16-11/h15H,3-4H2,1-2H3
InChIKeyOPBDONAYLHFDOO-UHFFFAOYSA-N
MW281.57 g/mol
LogP4.46
Rot. Bonds

About 5,7,8-trichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol

5,7,8-trichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol (PubChem CID 66554959) has the molecular formula C11H11Cl3O2 and a molecular weight of 281.57 g/mol. Its IUPAC name is 5,7,8-trichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name5,7,8-trichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol
PubChem CID66554959
Molecular FormulaC11H11Cl3O2
Molecular Weight281.57 g/mol
Exact Mass279.98
IUPAC Name5,7,8-trichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol
SMILESCC1(C)CCc2c(Cl)c(O)c(Cl)c(Cl)c2O1
InChIInChI=1S/C11H11Cl3O2/c1-11(2)4-3-5-6(12)9(15)7(13)8(14)10(5)16-11/h15H,3-4H2,1-2H3
InChIKeyOPBDONAYLHFDOO-UHFFFAOYSA-N
XLogP4.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.57
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7,8-trichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 5,7,8-trichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol (CID 66554959) is 5,7,8-trichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 5,7,8-trichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 5,7,8-trichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol is CC1(C)CCc2c(Cl)c(O)c(Cl)c(Cl)c2O1.
What is the InChIKey of 5,7,8-trichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol?
The InChIKey is OPBDONAYLHFDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3O2/c1-11(2)4-3-5-6(12)9(15)7(13)8(14)10(5)16-11/h15H,3-4H2,1-2H3.
What are the key properties of 5,7,8-trichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol?
5,7,8-trichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol has a molecular weight of 281.57 g/mol, XLogP of 4.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8-trichloro-2,2-dimethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 66554959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).