5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol

C11H14O4 — CID 71395890

IUPAC5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol
SMILESCOc1cc2c(cc1OC)C(O)C(O)C2
InChIInChI=1S/C11H14O4/c1-14-9-4-6-3-8(12)11(13)7(6)5-10(9)15-2/h4-5,8,11-13H,3H2,1-2H3
InChIKeyICBKLONTNJCWQD-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.65
Rot. Bonds2

About 5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol

5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol (PubChem CID 71395890) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol.

Molecular Properties

Compound Name5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol
PubChem CID71395890
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol
SMILESCOc1cc2c(cc1OC)C(O)C(O)C2
InChIInChI=1S/C11H14O4/c1-14-9-4-6-3-8(12)11(13)7(6)5-10(9)15-2/h4-5,8,11-13H,3H2,1-2H3
InChIKeyICBKLONTNJCWQD-UHFFFAOYSA-N
XLogP0.65
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R,3S)-3-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 13162191
(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl chloride
CID 88889516
(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 7055845
(1S,9S)-4,5,12,13-tetramethoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-17-carbaldehyde
CID 11793456
7-(iodomethyl)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene
CID 46849743
(5R)-7,8-dimethoxy-3-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-ol
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3,4-dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 45101397
(7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene
CID 147197844
(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile;sulfane
CID 159291041
(2R,4R)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 15657175
1-[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-methylethenamine;sulfane
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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol?
The IUPAC name of 5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol (CID 71395890) is 5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol.
What is the SMILES notation for 5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol?
The canonical SMILES for 5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol is COc1cc2c(cc1OC)C(O)C(O)C2.
What is the InChIKey of 5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol?
The InChIKey is ICBKLONTNJCWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-14-9-4-6-3-8(12)11(13)7(6)5-10(9)15-2/h4-5,8,11-13H,3H2,1-2H3.
What are the key properties of 5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol?
5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol has a molecular weight of 210.23 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol is sourced from PubChem (CID 71395890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).