6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-ol;6-propyl-2,3-dihydro-1H-inden-1-ol

C23H30O3 — CID 160826780

IUPAC6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-ol;6-propyl-2,3-dihydro-1H-inden-1-ol
SMILESCCCc1ccc2c(c1)C(O)CC2.OCCc1ccc2c(c1)C(O)CC2
InChIInChI=1S/C12H16O.C11H14O2/c1-2-3-9-4-5-10-6-7-12(13)11(10)8-9;12-6-5-8-1-2-9-3-4-11(13)10(9)7-8/h4-5,8,12-13H,2-3,6-7H2,1H3;1-2,7,11-13H,3-6H2
InChIKeySGGWZXSTDKOOQB-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.82
Rot. Bonds4

About 6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-ol;6-propyl-2,3-dihydro-1H-inden-1-ol

6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-ol;6-propyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 160826780) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-ol;6-propyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-ol;6-propyl-2,3-dihydro-1H-inden-1-ol
PubChem CID160826780
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Name6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-ol;6-propyl-2,3-dihydro-1H-inden-1-ol
SMILESCCCc1ccc2c(c1)C(O)CC2.OCCc1ccc2c(c1)C(O)CC2
InChIInChI=1S/C12H16O.C11H14O2/c1-2-3-9-4-5-10-6-7-12(13)11(10)8-9;12-6-5-8-1-2-9-3-4-11(13)10(9)7-8/h4-5,8,12-13H,2-3,6-7H2,1H3;1-2,7,11-13H,3-6H2
InChIKeySGGWZXSTDKOOQB-UHFFFAOYSA-N
XLogP3.82
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-ol;6-propyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-ol;6-propyl-2,3-dihydro-1H-inden-1-ol (CID 160826780) is 6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-ol;6-propyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-ol;6-propyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-ol;6-propyl-2,3-dihydro-1H-inden-1-ol is CCCc1ccc2c(c1)C(O)CC2.OCCc1ccc2c(c1)C(O)CC2.
What is the InChIKey of 6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-ol;6-propyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is SGGWZXSTDKOOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.C11H14O2/c1-2-3-9-4-5-10-6-7-12(13)11(10)8-9;12-6-5-8-1-2-9-3-4-11(13)10(9)7-8/h4-5,8,12-13H,2-3,6-7H2,1H3;1-2,7,11-13H,3-6H2.
What are the key properties of 6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-ol;6-propyl-2,3-dihydro-1H-inden-1-ol?
6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-ol;6-propyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 354.49 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-ol;6-propyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 160826780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).