6-methoxy-3,3-dimethyl-1,4-dihydroisochromene

C12H16O2 — CID 57120013

IUPAC6-methoxy-3,3-dimethyl-1,4-dihydroisochromene
SMILESCOc1ccc2c(c1)CC(C)(C)OC2
InChIInChI=1S/C12H16O2/c1-12(2)7-10-6-11(13-3)5-4-9(10)8-14-12/h4-6H,7-8H2,1-3H3
InChIKeyQOYZJYOQXWAFRO-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.55
Rot. Bonds1

About 6-methoxy-3,3-dimethyl-1,4-dihydroisochromene

6-methoxy-3,3-dimethyl-1,4-dihydroisochromene (PubChem CID 57120013) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 6-methoxy-3,3-dimethyl-1,4-dihydroisochromene.

Molecular Properties

Compound Name6-methoxy-3,3-dimethyl-1,4-dihydroisochromene
PubChem CID57120013
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name6-methoxy-3,3-dimethyl-1,4-dihydroisochromene
SMILESCOc1ccc2c(c1)CC(C)(C)OC2
InChIInChI=1S/C12H16O2/c1-12(2)7-10-6-11(13-3)5-4-9(10)8-14-12/h4-6H,7-8H2,1-3H3
InChIKeyQOYZJYOQXWAFRO-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-2-methyl-1,3-dihydroinden-2-amine
CID 84717968
7-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 84719792
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
(2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran
CID 16726534
6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine]
CID 84620045
(NE)-N-(6-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)hydroxylamine
CID 52985857
3-isocyanato-6-methoxy-3-methyl-2,4-dihydro-1H-naphthalene
CID 23191789
5-[(4-methoxyphenyl)methylsulfanyl]-13,13-dimethyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3,5,7,9-pentaen-7-amine
CID 1387019
5-methoxy-2,2-dimethyl-3H-inden-1-one
CID 10330158
2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile
CID 115511264
6-methoxy-6'-methyl-6'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-morpholine]
CID 114497491

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,3-dimethyl-1,4-dihydroisochromene?
The IUPAC name of 6-methoxy-3,3-dimethyl-1,4-dihydroisochromene (CID 57120013) is 6-methoxy-3,3-dimethyl-1,4-dihydroisochromene.
What is the SMILES notation for 6-methoxy-3,3-dimethyl-1,4-dihydroisochromene?
The canonical SMILES for 6-methoxy-3,3-dimethyl-1,4-dihydroisochromene is COc1ccc2c(c1)CC(C)(C)OC2.
What is the InChIKey of 6-methoxy-3,3-dimethyl-1,4-dihydroisochromene?
The InChIKey is QOYZJYOQXWAFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-12(2)7-10-6-11(13-3)5-4-9(10)8-14-12/h4-6H,7-8H2,1-3H3.
What are the key properties of 6-methoxy-3,3-dimethyl-1,4-dihydroisochromene?
6-methoxy-3,3-dimethyl-1,4-dihydroisochromene has a molecular weight of 192.26 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,3-dimethyl-1,4-dihydroisochromene is sourced from PubChem (CID 57120013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).