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

C11H13Cl2NO2 — CID 82020685

IUPAC3-amino-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCC1(C)Oc2c(Cl)cc(Cl)cc2C(O)C1N
InChIInChI=1S/C11H13Cl2NO2/c1-11(2)10(14)8(15)6-3-5(12)4-7(13)9(6)16-11/h3-4,8,10,15H,14H2,1-2H3
InChIKeyVKHHROUMPWNCDU-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.53
Rot. Bonds

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

3-amino-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-4-ol (PubChem CID 82020685) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 3-amino-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name3-amino-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-4-ol
PubChem CID82020685
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name3-amino-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCC1(C)Oc2c(Cl)cc(Cl)cc2C(O)C1N
InChIInChI=1S/C11H13Cl2NO2/c1-11(2)10(14)8(15)6-3-5(12)4-7(13)9(6)16-11/h3-4,8,10,15H,14H2,1-2H3
InChIKeyVKHHROUMPWNCDU-UHFFFAOYSA-N
XLogP2.53
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of 3-amino-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-4-ol (CID 82020685) is 3-amino-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 3-amino-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 3-amino-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-4-ol is CC1(C)Oc2c(Cl)cc(Cl)cc2C(O)C1N.
What is the InChIKey of 3-amino-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The InChIKey is VKHHROUMPWNCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-11(2)10(14)8(15)6-3-5(12)4-7(13)9(6)16-11/h3-4,8,10,15H,14H2,1-2H3.
What are the key properties of 3-amino-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-4-ol?
3-amino-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-4-ol has a molecular weight of 262.14 g/mol, XLogP of 2.53, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,8-dichloro-2,2-dimethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 82020685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).