6,7-dimethoxycyclopenta[a]inden-4-olate

C14H11O3- — CID 134966397

IUPAC6,7-dimethoxycyclopenta[a]inden-4-olate
SMILESCOc1cc2c(cc1OC)=C1C=CC=C1C=2[O-]
InChIInChI=1S/C14H12O3/c1-16-12-6-10-8-4-3-5-9(8)14(15)11(10)7-13(12)17-2/h3-7,15H,1-2H3/p-1
InChIKeyZDYIXAOZBVPHOO-UHFFFAOYSA-M
MW227.24 g/mol
LogP-0.17
Rot. Bonds2

About 6,7-dimethoxycyclopenta[a]inden-4-olate

6,7-dimethoxycyclopenta[a]inden-4-olate (PubChem CID 134966397) has the molecular formula C14H11O3- and a molecular weight of 227.24 g/mol. Its IUPAC name is 6,7-dimethoxycyclopenta[a]inden-4-olate.

Molecular Properties

Compound Name6,7-dimethoxycyclopenta[a]inden-4-olate
PubChem CID134966397
Molecular FormulaC14H11O3-
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name6,7-dimethoxycyclopenta[a]inden-4-olate
SMILESCOc1cc2c(cc1OC)=C1C=CC=C1C=2[O-]
InChIInChI=1S/C14H12O3/c1-16-12-6-10-8-4-3-5-9(8)14(15)11(10)7-13(12)17-2/h3-7,15H,1-2H3/p-1
InChIKeyZDYIXAOZBVPHOO-UHFFFAOYSA-M
XLogP-0.17
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dimethoxyindeno[2,1-a]indene
CID 101572864
Indeno[1,2-b]furan
CID 139207808
6-Methoxycyclopenta[a]inden-4-olate
CID 134966409
3,7-dihydro-2H-furo[2,3-c]pyran
CID 57086505
3-methoxy-5H-indene
CID 57180917
3-Methyl-5,6-dihydro-1-benzofuran
CID 66828269
7-methoxy-4,5-dihydro-1H-indene
CID 69698884
6,7-dimethoxy-4,5-dihydro-1H-indene
CID 69709018
1,3-Dimethoxy-5-methylidenecyclohexa-1,3-diene
CID 85112621
CID 88497471
CID 88497471
(6Z)-5-ethenylidene-2,3-dimethoxy-6-[(Z)-pent-3-en-2-ylidene]cyclohexa-1,3-diene
CID 89260851
7-Oxatricyclo[7.3.0.02,6]dodeca-1,3,5,9,11-pentaene
CID 89396709

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxycyclopenta[a]inden-4-olate?
The IUPAC name of 6,7-dimethoxycyclopenta[a]inden-4-olate (CID 134966397) is 6,7-dimethoxycyclopenta[a]inden-4-olate.
What is the SMILES notation for 6,7-dimethoxycyclopenta[a]inden-4-olate?
The canonical SMILES for 6,7-dimethoxycyclopenta[a]inden-4-olate is COc1cc2c(cc1OC)=C1C=CC=C1C=2[O-].
What is the InChIKey of 6,7-dimethoxycyclopenta[a]inden-4-olate?
The InChIKey is ZDYIXAOZBVPHOO-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12O3/c1-16-12-6-10-8-4-3-5-9(8)14(15)11(10)7-13(12)17-2/h3-7,15H,1-2H3/p-1.
What are the key properties of 6,7-dimethoxycyclopenta[a]inden-4-olate?
6,7-dimethoxycyclopenta[a]inden-4-olate has a molecular weight of 227.24 g/mol, XLogP of -0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxycyclopenta[a]inden-4-olate is sourced from PubChem (CID 134966397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).