actinium;3-(2-hydroxypropyl)-2-methyl-1-benzofuran-7-ol

C12H14Ac2O3 — CID 20708357

IUPACactinium;3-(2-hydroxypropyl)-2-methyl-1-benzofuran-7-ol
SMILESCc1oc2c(O)cccc2c1CC(C)O.[Ac].[Ac]
InChIInChI=1S/C12H14O3.2Ac/c1-7(13)6-10-8(2)15-12-9(10)4-3-5-11(12)14;;/h3-5,7,13-14H,6H2,1-2H3;;
InChIKeyAVHOTWKCWAAADZ-UHFFFAOYSA-N
MW660.24 g/mol
LogP2.37
Rot. Bonds2

About actinium;3-(2-hydroxypropyl)-2-methyl-1-benzofuran-7-ol

actinium;3-(2-hydroxypropyl)-2-methyl-1-benzofuran-7-ol (PubChem CID 20708357) has the molecular formula C12H14Ac2O3 and a molecular weight of 660.24 g/mol. Its IUPAC name is actinium;3-(2-hydroxypropyl)-2-methyl-1-benzofuran-7-ol.

Molecular Properties

Compound Nameactinium;3-(2-hydroxypropyl)-2-methyl-1-benzofuran-7-ol
PubChem CID20708357
Molecular FormulaC12H14Ac2O3
Molecular Weight660.24 g/mol
Exact Mass660.15
IUPAC Nameactinium;3-(2-hydroxypropyl)-2-methyl-1-benzofuran-7-ol
SMILESCc1oc2c(O)cccc2c1CC(C)O.[Ac].[Ac]
InChIInChI=1S/C12H14O3.2Ac/c1-7(13)6-10-8(2)15-12-9(10)4-3-5-11(12)14;;/h3-5,7,13-14H,6H2,1-2H3;;
InChIKeyAVHOTWKCWAAADZ-UHFFFAOYSA-N
XLogP2.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500660.24
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-(2-hydroxypropyl)benzoic acid
CID 174903948
1-anthracen-9-ylpropan-2-ol
CID 19889136
3-(2-aminopropyl)-1,2-benzoxazol-7-ol
CID 84663914
(7-chloro-2-methyl-1-benzofuran-3-yl)methanamine
CID 83907915
3-(2,7-dimethyl-1-benzofuran-3-yl)propanoic acid
CID 83910179
actinium;[7-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-yl]methylazanide
CID 20708391
4-bromo-2-(2-hydroxypropyl)-3-methylphenol
CID 117364048
1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propan-2-ol
CID 115010389
3,8-dihydroxy-4-propan-2-yloxychromen-2-one
CID 19929905
1-(7-ethoxy-1-benzofuran-2-yl)propan-2-ol
CID 82264246
1-[2,3-bis(aminomethyl)phenyl]propan-2-ol
CID 101292367
1-(6-chloro-2,3-dimethylphenyl)propan-2-ol
CID 117288115

Frequently Asked Questions

What is the IUPAC name of actinium;3-(2-hydroxypropyl)-2-methyl-1-benzofuran-7-ol?
The IUPAC name of actinium;3-(2-hydroxypropyl)-2-methyl-1-benzofuran-7-ol (CID 20708357) is actinium;3-(2-hydroxypropyl)-2-methyl-1-benzofuran-7-ol.
What is the SMILES notation for actinium;3-(2-hydroxypropyl)-2-methyl-1-benzofuran-7-ol?
The canonical SMILES for actinium;3-(2-hydroxypropyl)-2-methyl-1-benzofuran-7-ol is Cc1oc2c(O)cccc2c1CC(C)O.[Ac].[Ac].
What is the InChIKey of actinium;3-(2-hydroxypropyl)-2-methyl-1-benzofuran-7-ol?
The InChIKey is AVHOTWKCWAAADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3.2Ac/c1-7(13)6-10-8(2)15-12-9(10)4-3-5-11(12)14;;/h3-5,7,13-14H,6H2,1-2H3;;.
What are the key properties of actinium;3-(2-hydroxypropyl)-2-methyl-1-benzofuran-7-ol?
actinium;3-(2-hydroxypropyl)-2-methyl-1-benzofuran-7-ol has a molecular weight of 660.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;3-(2-hydroxypropyl)-2-methyl-1-benzofuran-7-ol is sourced from PubChem (CID 20708357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).