7-bromo-4-methoxy-3,4-dihydro-1H-isochromene

C10H11BrO2 — CID 123524862

IUPAC7-bromo-4-methoxy-3,4-dihydro-1H-isochromene
SMILESCOC1COCc2cc(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
InChIKeyLIJZSYORKBDVGD-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.67
Rot. Bonds1

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

7-bromo-4-methoxy-3,4-dihydro-1H-isochromene (PubChem CID 123524862) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 7-bromo-4-methoxy-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name7-bromo-4-methoxy-3,4-dihydro-1H-isochromene
PubChem CID123524862
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name7-bromo-4-methoxy-3,4-dihydro-1H-isochromene
SMILESCOC1COCc2cc(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
InChIKeyLIJZSYORKBDVGD-UHFFFAOYSA-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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Related Compounds

(1R)-6-bromo-1-methoxy-3,4-dihydro-1H-isochromene
CID 125495570
5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene
CID 47002601
(1R)-6-bromo-1-methoxy-1,3-dihydro-2-benzofuran
CID 86339095
7-bromo-3,4-dihydro-1H-isochromene
CID 10560525
6-bromo-4-methoxy-4H-1,3-benzodioxine
CID 167513755
N-(3-bromophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148809
N-[1-(3-bromophenyl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148988
5-bromo-2-methoxy-2,3-dihydro-1H-indole
CID 160760418
(4R)-6-methoxy-N-methyl-3,4-dihydro-1H-isochromen-4-amine
CID 134223009
(3R)-3-(4-bromo-2-methoxyphenyl)morpholine;hydrochloride
CID 171192624
4,7-ditert-butyl-3,4-dihydro-1H-isochromene
CID 90310317
5-bromo-2-(methylamino)-2,3-dihydro-1H-inden-1-ol
CID 83843334

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methoxy-3,4-dihydro-1H-isochromene?
The IUPAC name of 7-bromo-4-methoxy-3,4-dihydro-1H-isochromene (CID 123524862) is 7-bromo-4-methoxy-3,4-dihydro-1H-isochromene.
What is the SMILES notation for 7-bromo-4-methoxy-3,4-dihydro-1H-isochromene?
The canonical SMILES for 7-bromo-4-methoxy-3,4-dihydro-1H-isochromene is COC1COCc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-4-methoxy-3,4-dihydro-1H-isochromene?
The InChIKey is LIJZSYORKBDVGD-UHFFFAOYSA-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.
What are the key properties of 7-bromo-4-methoxy-3,4-dihydro-1H-isochromene?
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 7-bromo-4-methoxy-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 123524862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).