8-methoxy-3,4-dimethyl-3,4-dihydro-1H-isochromene

C12H16O2 — CID 14216292

IUPAC8-methoxy-3,4-dimethyl-3,4-dihydro-1H-isochromene
SMILESCOc1cccc2c1COC(C)C2C
InChIInChI=1S/C12H16O2/c1-8-9(2)14-7-11-10(8)5-4-6-12(11)13-3/h4-6,8-9H,7H2,1-3H3
InChIKeyXUXPZZWXPUXWRL-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.72
Rot. Bonds1

About 8-methoxy-3,4-dimethyl-3,4-dihydro-1H-isochromene

8-methoxy-3,4-dimethyl-3,4-dihydro-1H-isochromene (PubChem CID 14216292) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 8-methoxy-3,4-dimethyl-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name8-methoxy-3,4-dimethyl-3,4-dihydro-1H-isochromene
PubChem CID14216292
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name8-methoxy-3,4-dimethyl-3,4-dihydro-1H-isochromene
SMILESCOc1cccc2c1COC(C)C2C
InChIInChI=1S/C12H16O2/c1-8-9(2)14-7-11-10(8)5-4-6-12(11)13-3/h4-6,8-9H,7H2,1-3H3
InChIKeyXUXPZZWXPUXWRL-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-8-methoxy-3-methyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
CID 160629931
3,4-dimethyl-3,4-dihydro-1H-isochromene
CID 12794873
5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057140
4-methoxy-2-methyl-2,3-dihydro-1H-inden-1-ol
CID 79726670
(3S)-5,9,10-trimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene
CID 135023024
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
2-methoxy-6-(3-methyloxiran-2-yl)phenol
CID 130036138
[(1S,2R)-5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-propylazanium
CID 56927818
5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63822286
5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63820817
1,8-dimethoxy-9,10-dihydroanthracene
CID 12651974
8-methoxy-3-methyl-3,4-dihydro-1H-isothiochromen-4-ol
CID 82886324

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,4-dimethyl-3,4-dihydro-1H-isochromene?
The IUPAC name of 8-methoxy-3,4-dimethyl-3,4-dihydro-1H-isochromene (CID 14216292) is 8-methoxy-3,4-dimethyl-3,4-dihydro-1H-isochromene.
What is the SMILES notation for 8-methoxy-3,4-dimethyl-3,4-dihydro-1H-isochromene?
The canonical SMILES for 8-methoxy-3,4-dimethyl-3,4-dihydro-1H-isochromene is COc1cccc2c1COC(C)C2C.
What is the InChIKey of 8-methoxy-3,4-dimethyl-3,4-dihydro-1H-isochromene?
The InChIKey is XUXPZZWXPUXWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-9(2)14-7-11-10(8)5-4-6-12(11)13-3/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 8-methoxy-3,4-dimethyl-3,4-dihydro-1H-isochromene?
8-methoxy-3,4-dimethyl-3,4-dihydro-1H-isochromene has a molecular weight of 192.26 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,4-dimethyl-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 14216292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).