(4R)-7-bromo-4-methoxy-3,4-dihydro-1H-isochromene

C10H11BrO2 — CID 122233581

IUPAC(4R)-7-bromo-4-methoxy-3,4-dihydro-1H-isochromene
SMILESCO[C@H]1COCc2cc(Br)ccc21
InChIInChI=1S/C10H11BrO2/c1-12-10-6-13-5-7-4-8(11)2-3-9(7)10/h2-4,10H,5-6H2,1H3/t10-/m0/s1
InChIKeyLIJZSYORKBDVGD-JTQLQIEISA-N
MW243.10 g/mol
LogP2.67
Rot. Bonds1

About (4R)-7-bromo-4-methoxy-3,4-dihydro-1H-isochromene

(4R)-7-bromo-4-methoxy-3,4-dihydro-1H-isochromene (PubChem CID 122233581) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is (4R)-7-bromo-4-methoxy-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name(4R)-7-bromo-4-methoxy-3,4-dihydro-1H-isochromene
PubChem CID122233581
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name(4R)-7-bromo-4-methoxy-3,4-dihydro-1H-isochromene
SMILESCO[C@H]1COCc2cc(Br)ccc21
InChIInChI=1S/C10H11BrO2/c1-12-10-6-13-5-7-4-8(11)2-3-9(7)10/h2-4,10H,5-6H2,1H3/t10-/m0/s1
InChIKeyLIJZSYORKBDVGD-JTQLQIEISA-N
XLogP2.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R)-7-bromo-4-methoxy-3,4-dihydro-1H-isochromene with MolForge

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

Launch Full Analysis

Related Compounds

1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
1-Bromo-4-((propan-2-yloxy)methyl)benzene
CID 21876945
1-Bromo-3-((propan-2-yloxy)methyl)benzene
CID 57573841
5-Bromo-2,3-dihydro-1-(1-methylethoxy)-1H-indene
CID 47002601
7-bromo-3,4-dihydro-1H-2-benzopyran
CID 10560525
8-bromo-3,4-dihydro-1H-2-benzopyran
CID 10608622
5-bromo-3,4-dihydro-1H-2-benzopyran
CID 10798626
4-(3-Bromophenyl)-4-methoxyoxane
CID 18996138
1-Bromo-4-((2-methoxyethoxy)methyl)benzene
CID 21997565
1-(bromomethyl)-3,4-dihydro-1H-2-benzopyran
CID 23288828
1-bromo-4-[(1R)-1-methoxyethyl]benzene
CID 51534482
6-Bromo-1,1-dimethyl-1,3-dihydro-2-benzofuran
CID 57803842

Frequently Asked Questions

What is the IUPAC name of (4R)-7-bromo-4-methoxy-3,4-dihydro-1H-isochromene?
The IUPAC name of (4R)-7-bromo-4-methoxy-3,4-dihydro-1H-isochromene (CID 122233581) is (4R)-7-bromo-4-methoxy-3,4-dihydro-1H-isochromene.
What is the SMILES notation for (4R)-7-bromo-4-methoxy-3,4-dihydro-1H-isochromene?
The canonical SMILES for (4R)-7-bromo-4-methoxy-3,4-dihydro-1H-isochromene is CO[C@H]1COCc2cc(Br)ccc21.
What is the InChIKey of (4R)-7-bromo-4-methoxy-3,4-dihydro-1H-isochromene?
The InChIKey is LIJZSYORKBDVGD-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11BrO2/c1-12-10-6-13-5-7-4-8(11)2-3-9(7)10/h2-4,10H,5-6H2,1H3/t10-/m0/s1.
What are the key properties of (4R)-7-bromo-4-methoxy-3,4-dihydro-1H-isochromene?
(4R)-7-bromo-4-methoxy-3,4-dihydro-1H-isochromene has a molecular weight of 243.10 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-bromo-4-methoxy-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 122233581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).