(3S)-5,7-dibromo-3-methyl-3,4-dihydro-1H-isochromen-8-ol

C10H10Br2O2 — CID 15460268

IUPAC(3S)-5,7-dibromo-3-methyl-3,4-dihydro-1H-isochromen-8-ol
SMILESC[C@H]1Cc2c(Br)cc(Br)c(O)c2CO1
InChIInChI=1S/C10H10Br2O2/c1-5-2-6-7(4-14-5)10(13)9(12)3-8(6)11/h3,5,13H,2,4H2,1H3/t5-/m0/s1
InChIKeyZXUFBUVMPQDHEI-YFKPBYRVSA-N
MW322.00 g/mol
LogP3.38
Rot. Bonds

About (3S)-5,7-dibromo-3-methyl-3,4-dihydro-1H-isochromen-8-ol

(3S)-5,7-dibromo-3-methyl-3,4-dihydro-1H-isochromen-8-ol (PubChem CID 15460268) has the molecular formula C10H10Br2O2 and a molecular weight of 322.00 g/mol. Its IUPAC name is (3S)-5,7-dibromo-3-methyl-3,4-dihydro-1H-isochromen-8-ol.

Molecular Properties

Compound Name(3S)-5,7-dibromo-3-methyl-3,4-dihydro-1H-isochromen-8-ol
PubChem CID15460268
Molecular FormulaC10H10Br2O2
Molecular Weight322.00 g/mol
Exact Mass319.90
IUPAC Name(3S)-5,7-dibromo-3-methyl-3,4-dihydro-1H-isochromen-8-ol
SMILESC[C@H]1Cc2c(Br)cc(Br)c(O)c2CO1
InChIInChI=1S/C10H10Br2O2/c1-5-2-6-7(4-14-5)10(13)9(12)3-8(6)11/h3,5,13H,2,4H2,1H3/t5-/m0/s1
InChIKeyZXUFBUVMPQDHEI-YFKPBYRVSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-5,7-dibromo-3-methyl-3,4-dihydro-1H-isochromen-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-5,7-dibromo-3-methyl-3,4-dihydro-1H-isochromen-8-ol?
The IUPAC name of (3S)-5,7-dibromo-3-methyl-3,4-dihydro-1H-isochromen-8-ol (CID 15460268) is (3S)-5,7-dibromo-3-methyl-3,4-dihydro-1H-isochromen-8-ol.
What is the SMILES notation for (3S)-5,7-dibromo-3-methyl-3,4-dihydro-1H-isochromen-8-ol?
The canonical SMILES for (3S)-5,7-dibromo-3-methyl-3,4-dihydro-1H-isochromen-8-ol is C[C@H]1Cc2c(Br)cc(Br)c(O)c2CO1.
What is the InChIKey of (3S)-5,7-dibromo-3-methyl-3,4-dihydro-1H-isochromen-8-ol?
The InChIKey is ZXUFBUVMPQDHEI-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H10Br2O2/c1-5-2-6-7(4-14-5)10(13)9(12)3-8(6)11/h3,5,13H,2,4H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-5,7-dibromo-3-methyl-3,4-dihydro-1H-isochromen-8-ol?
(3S)-5,7-dibromo-3-methyl-3,4-dihydro-1H-isochromen-8-ol has a molecular weight of 322.00 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5,7-dibromo-3-methyl-3,4-dihydro-1H-isochromen-8-ol is sourced from PubChem (CID 15460268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).