sodium bicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-ol

C8H6NaO+ — CID 19751930

IUPACsodium bicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-ol
SMILESOc1ccc2c(c1)C=C2.[Na+]
InChIInChI=1S/C8H6O.Na/c9-8-4-3-6-1-2-7(6)5-8;/h1-5,9H;/q;+1
InChIKeyFANXIZOBEHPOCX-UHFFFAOYSA-N
MW141.12 g/mol
LogP-1.12
Rot. Bonds

About sodium bicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-ol

sodium bicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-ol (PubChem CID 19751930) has the molecular formula C8H6NaO+ and a molecular weight of 141.12 g/mol. Its IUPAC name is sodium bicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-ol.

Molecular Properties

Compound Namesodium bicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-ol
PubChem CID19751930
Molecular FormulaC8H6NaO+
Molecular Weight141.12 g/mol
Exact Mass141.03
IUPAC Namesodium bicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-ol
SMILESOc1ccc2c(c1)C=C2.[Na+]
InChIInChI=1S/C8H6O.Na/c9-8-4-3-6-1-2-7(6)5-8;/h1-5,9H;/q;+1
InChIKeyFANXIZOBEHPOCX-UHFFFAOYSA-N
XLogP-1.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.12
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3H-inden-5-ol
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3-(6-hydroxy-1H-inden-1-yl)-3H-inden-5-ol
CID 140511722
2-oxidooxy-2-oxoisothiochromen-6-ol
CID 59025197
disodium;benzene-1,4-diol;hydride
CID 173178650
triphenylene-2,6,10-triol
CID 19043276
2H-naphthalene-1,1,7-triol
CID 67563728
CID 158795306
CID 158795306
argon;benzene-1,4-diol
CID 71441175
benzene-1,4-diol;hydron
CID 137356428
sodium;4-aminophenol;hydride
CID 173115063
ethane;3H-inden-5-ol;propane
CID 91292359

Frequently Asked Questions

What is the IUPAC name of sodium bicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-ol?
The IUPAC name of sodium bicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-ol (CID 19751930) is sodium bicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-ol.
What is the SMILES notation for sodium bicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-ol?
The canonical SMILES for sodium bicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-ol is Oc1ccc2c(c1)C=C2.[Na+].
What is the InChIKey of sodium bicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-ol?
The InChIKey is FANXIZOBEHPOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O.Na/c9-8-4-3-6-1-2-7(6)5-8;/h1-5,9H;/q;+1.
What are the key properties of sodium bicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-ol?
sodium bicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-ol has a molecular weight of 141.12 g/mol, XLogP of -1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium bicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-ol is sourced from PubChem (CID 19751930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).