3-methoxy-2,7-dimethyl-1H-indene

C12H14O — CID 23625905

IUPAC3-methoxy-2,7-dimethyl-1H-indene
SMILESCOC1=C(C)Cc2c(C)cccc21
InChIInChI=1S/C12H14O/c1-8-5-4-6-10-11(8)7-9(2)12(10)13-3/h4-6H,7H2,1-3H3
InChIKeyIFCJKTJVGSRXHF-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.93
Rot. Bonds1

About 3-methoxy-2,7-dimethyl-1H-indene

3-methoxy-2,7-dimethyl-1H-indene (PubChem CID 23625905) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-methoxy-2,7-dimethyl-1H-indene.

Molecular Properties

Compound Name3-methoxy-2,7-dimethyl-1H-indene
PubChem CID23625905
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name3-methoxy-2,7-dimethyl-1H-indene
SMILESCOC1=C(C)Cc2c(C)cccc21
InChIInChI=1S/C12H14O/c1-8-5-4-6-10-11(8)7-9(2)12(10)13-3/h4-6H,7H2,1-3H3
InChIKeyIFCJKTJVGSRXHF-UHFFFAOYSA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,8-dimethyl-9,10-dihydrophenanthrene
CID 142741487
4-methyl-3H-indene-1,2-dione
CID 561993
4,8-dimethyl-1H-naphthalen-2-one
CID 158508718
8,16-dimethoxy-24,32-dimethyl-2,10,18-triazapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(32),4(9),5,7,12(17),13,15,20,22,24,28,30-dodecaene-3,11,19,27-tetrone;ethane
CID 123569148
(2E)-4-methyl-2-(4-methyl-2,3-dihydroinden-1-ylidene)-3H-inden-1-one
CID 3004066
2,3,4,7-tetramethyl-1H-indene
CID 10942918
2-(2-methoxy-3-methylphenyl)-5-methylpyrimidine
CID 138713677
(3E)-3-[(Z)-but-2-enylidene]-7-methyl-2-methylidene-1H-indene
CID 144820890
1-methyl-6-phenyl-9H-fluorene
CID 157259892
7-bromo-2,3-dimethyl-1H-indene
CID 59608909
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
4-chloro-2,6-dimethyl-5H-indeno[1,2-d]pyrimidine;ethane
CID 90736626

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,7-dimethyl-1H-indene?
The IUPAC name of 3-methoxy-2,7-dimethyl-1H-indene (CID 23625905) is 3-methoxy-2,7-dimethyl-1H-indene.
What is the SMILES notation for 3-methoxy-2,7-dimethyl-1H-indene?
The canonical SMILES for 3-methoxy-2,7-dimethyl-1H-indene is COC1=C(C)Cc2c(C)cccc21.
What is the InChIKey of 3-methoxy-2,7-dimethyl-1H-indene?
The InChIKey is IFCJKTJVGSRXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-8-5-4-6-10-11(8)7-9(2)12(10)13-3/h4-6H,7H2,1-3H3.
What are the key properties of 3-methoxy-2,7-dimethyl-1H-indene?
3-methoxy-2,7-dimethyl-1H-indene has a molecular weight of 174.24 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,7-dimethyl-1H-indene is sourced from PubChem (CID 23625905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).