6-methoxy-3,3-dimethyl-1,2-dihydroindene

C12H16O — CID 22152285

IUPAC6-methoxy-3,3-dimethyl-1,2-dihydroindene
SMILESCOc1ccc2c(c1)CCC2(C)C
InChIInChI=1S/C12H16O/c1-12(2)7-6-9-8-10(13-3)4-5-11(9)12/h4-5,8H,6-7H2,1-3H3
InChIKeyDVIQJHKQDUMLBP-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.92
Rot. Bonds1

About 6-methoxy-3,3-dimethyl-1,2-dihydroindene

6-methoxy-3,3-dimethyl-1,2-dihydroindene (PubChem CID 22152285) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 6-methoxy-3,3-dimethyl-1,2-dihydroindene.

Molecular Properties

Compound Name6-methoxy-3,3-dimethyl-1,2-dihydroindene
PubChem CID22152285
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name6-methoxy-3,3-dimethyl-1,2-dihydroindene
SMILESCOc1ccc2c(c1)CCC2(C)C
InChIInChI=1S/C12H16O/c1-12(2)7-6-9-8-10(13-3)4-5-11(9)12/h4-5,8H,6-7H2,1-3H3
InChIKeyDVIQJHKQDUMLBP-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
7-methoxy-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene
CID 102291297
CID 57211376
CID 57211376
6-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]
CID 82277020
7-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 84719792
5-iodo-8-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine
CID 67206648
2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid
CID 83911976
8-methoxy-5,5-dimethyl-2,3-dihydro-1H-3-benzazepin-4-one
CID 168876558
methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate
CID 83910529
1-(cyanomethyl)-5-methoxy-2,3-dihydroindene-1-carbonitrile
CID 12938512
ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 101340155

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,3-dimethyl-1,2-dihydroindene?
The IUPAC name of 6-methoxy-3,3-dimethyl-1,2-dihydroindene (CID 22152285) is 6-methoxy-3,3-dimethyl-1,2-dihydroindene.
What is the SMILES notation for 6-methoxy-3,3-dimethyl-1,2-dihydroindene?
The canonical SMILES for 6-methoxy-3,3-dimethyl-1,2-dihydroindene is COc1ccc2c(c1)CCC2(C)C.
What is the InChIKey of 6-methoxy-3,3-dimethyl-1,2-dihydroindene?
The InChIKey is DVIQJHKQDUMLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-12(2)7-6-9-8-10(13-3)4-5-11(9)12/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 6-methoxy-3,3-dimethyl-1,2-dihydroindene?
6-methoxy-3,3-dimethyl-1,2-dihydroindene has a molecular weight of 176.26 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,3-dimethyl-1,2-dihydroindene is sourced from PubChem (CID 22152285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).