(1R)-6-bromo-1-methoxy-3,4-dihydro-1H-isochromene

C10H11BrO2 — CID 125495570

IUPAC(1R)-6-bromo-1-methoxy-3,4-dihydro-1H-isochromene
SMILESCO[C@@H]1OCCc2cc(Br)ccc21
InChIInChI=1S/C10H11BrO2/c1-12-10-9-3-2-8(11)6-7(9)4-5-13-10/h2-3,6,10H,4-5H2,1H3/t10-/m1/s1
InChIKeyWJYYTMSASRFWTQ-SNVBAGLBSA-N
MW243.10 g/mol
LogP2.67
Rot. Bonds1

About (1R)-6-bromo-1-methoxy-3,4-dihydro-1H-isochromene

(1R)-6-bromo-1-methoxy-3,4-dihydro-1H-isochromene (PubChem CID 125495570) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is (1R)-6-bromo-1-methoxy-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name(1R)-6-bromo-1-methoxy-3,4-dihydro-1H-isochromene
PubChem CID125495570
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name(1R)-6-bromo-1-methoxy-3,4-dihydro-1H-isochromene
SMILESCO[C@@H]1OCCc2cc(Br)ccc21
InChIInChI=1S/C10H11BrO2/c1-12-10-9-3-2-8(11)6-7(9)4-5-13-10/h2-3,6,10H,4-5H2,1H3/t10-/m1/s1
InChIKeyWJYYTMSASRFWTQ-SNVBAGLBSA-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

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Frequently Asked Questions

What is the IUPAC name of (1R)-6-bromo-1-methoxy-3,4-dihydro-1H-isochromene?
The IUPAC name of (1R)-6-bromo-1-methoxy-3,4-dihydro-1H-isochromene (CID 125495570) is (1R)-6-bromo-1-methoxy-3,4-dihydro-1H-isochromene.
What is the SMILES notation for (1R)-6-bromo-1-methoxy-3,4-dihydro-1H-isochromene?
The canonical SMILES for (1R)-6-bromo-1-methoxy-3,4-dihydro-1H-isochromene is CO[C@@H]1OCCc2cc(Br)ccc21.
What is the InChIKey of (1R)-6-bromo-1-methoxy-3,4-dihydro-1H-isochromene?
The InChIKey is WJYYTMSASRFWTQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-12-10-9-3-2-8(11)6-7(9)4-5-13-10/h2-3,6,10H,4-5H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-6-bromo-1-methoxy-3,4-dihydro-1H-isochromene?
(1R)-6-bromo-1-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 (1R)-6-bromo-1-methoxy-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 125495570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).