4,7-dimethoxy-3,4-dihydro-1H-isochromene

C11H14O3 — CID 14530781

IUPAC4,7-dimethoxy-3,4-dihydro-1H-isochromene
SMILESCOc1ccc2c(c1)COCC2OC
InChIInChI=1S/C11H14O3/c1-12-9-3-4-10-8(5-9)6-14-7-11(10)13-2/h3-5,11H,6-7H2,1-2H3
InChIKeyALGBYXADHQRZRZ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.91
Rot. Bonds2

About 4,7-dimethoxy-3,4-dihydro-1H-isochromene

4,7-dimethoxy-3,4-dihydro-1H-isochromene (PubChem CID 14530781) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4,7-dimethoxy-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name4,7-dimethoxy-3,4-dihydro-1H-isochromene
PubChem CID14530781
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4,7-dimethoxy-3,4-dihydro-1H-isochromene
SMILESCOc1ccc2c(c1)COCC2OC
InChIInChI=1S/C11H14O3/c1-12-9-3-4-10-8(5-9)6-14-7-11(10)13-2/h3-5,11H,6-7H2,1-2H3
InChIKeyALGBYXADHQRZRZ-UHFFFAOYSA-N
XLogP1.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-4-methoxy-3,4-dihydro-1H-isochromene
CID 123524862
(4R)-6-methoxy-N-methyl-3,4-dihydro-1H-isochromen-4-amine
CID 134223009
8-methoxy-1,3,4,5-tetrahydro-2-benzoxepin-5-amine
CID 170899412
2,7-dimethoxy-3,5-dihydro-2H-1,4-benzodioxepine
CID 121222876
(4R)-7-ethoxy-3,4-dihydro-1H-isochromen-4-amine
CID 131221796
1-methoxy-5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 155221844
1,5-dimethoxy-2,2-dimethyl-1,3-dihydroindene
CID 10398076
(2S)-2-(2-chloro-4-methoxyphenyl)oxirane
CID 95436380
(4S)-7-(2-methylpropoxy)-3,4-dihydro-1H-isochromen-4-amine
CID 131309092
4,7-dimethoxy-1,2,3,4-tetrahydroquinoline
CID 82275550
8-methoxy-2,3,4,4a,6,10b-hexahydro-1H-isochromeno[4,3-b]pyridine
CID 177207224
(3R,4R)-3-butyl-7-methoxy-4-methyl-3,4-dihydro-1H-isochromene
CID 177207233

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-3,4-dihydro-1H-isochromene?
The IUPAC name of 4,7-dimethoxy-3,4-dihydro-1H-isochromene (CID 14530781) is 4,7-dimethoxy-3,4-dihydro-1H-isochromene.
What is the SMILES notation for 4,7-dimethoxy-3,4-dihydro-1H-isochromene?
The canonical SMILES for 4,7-dimethoxy-3,4-dihydro-1H-isochromene is COc1ccc2c(c1)COCC2OC.
What is the InChIKey of 4,7-dimethoxy-3,4-dihydro-1H-isochromene?
The InChIKey is ALGBYXADHQRZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-12-9-3-4-10-8(5-9)6-14-7-11(10)13-2/h3-5,11H,6-7H2,1-2H3.
What are the key properties of 4,7-dimethoxy-3,4-dihydro-1H-isochromene?
4,7-dimethoxy-3,4-dihydro-1H-isochromene has a molecular weight of 194.23 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 14530781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).