3-(6-hydroxy-1H-inden-1-yl)-3H-inden-5-ol

C18H14O2 — CID 140511722

IUPAC3-(6-hydroxy-1H-inden-1-yl)-3H-inden-5-ol
SMILESOc1ccc2c(c1)C(C1C=Cc3ccc(O)cc31)C=C2
InChIInChI=1S/C18H14O2/c19-13-5-1-11-3-7-15(17(11)9-13)16-8-4-12-2-6-14(20)10-18(12)16/h1-10,15-16,19-20H
InChIKeyCXWCUBQDYSELDS-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.02
Rot. Bonds1

About 3-(6-hydroxy-1H-inden-1-yl)-3H-inden-5-ol

3-(6-hydroxy-1H-inden-1-yl)-3H-inden-5-ol (PubChem CID 140511722) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(6-hydroxy-1H-inden-1-yl)-3H-inden-5-ol.

Molecular Properties

Compound Name3-(6-hydroxy-1H-inden-1-yl)-3H-inden-5-ol
PubChem CID140511722
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name3-(6-hydroxy-1H-inden-1-yl)-3H-inden-5-ol
SMILESOc1ccc2c(c1)C(C1C=Cc3ccc(O)cc31)C=C2
InChIInChI=1S/C18H14O2/c19-13-5-1-11-3-7-15(17(11)9-13)16-8-4-12-2-6-14(20)10-18(12)16/h1-10,15-16,19-20H
InChIKeyCXWCUBQDYSELDS-UHFFFAOYSA-N
XLogP4.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxy-1H-inden-1-yl)-3H-inden-5-ol?
The IUPAC name of 3-(6-hydroxy-1H-inden-1-yl)-3H-inden-5-ol (CID 140511722) is 3-(6-hydroxy-1H-inden-1-yl)-3H-inden-5-ol.
What is the SMILES notation for 3-(6-hydroxy-1H-inden-1-yl)-3H-inden-5-ol?
The canonical SMILES for 3-(6-hydroxy-1H-inden-1-yl)-3H-inden-5-ol is Oc1ccc2c(c1)C(C1C=Cc3ccc(O)cc31)C=C2.
What is the InChIKey of 3-(6-hydroxy-1H-inden-1-yl)-3H-inden-5-ol?
The InChIKey is CXWCUBQDYSELDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c19-13-5-1-11-3-7-15(17(11)9-13)16-8-4-12-2-6-14(20)10-18(12)16/h1-10,15-16,19-20H.
What are the key properties of 3-(6-hydroxy-1H-inden-1-yl)-3H-inden-5-ol?
3-(6-hydroxy-1H-inden-1-yl)-3H-inden-5-ol has a molecular weight of 262.31 g/mol, XLogP of 4.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxy-1H-inden-1-yl)-3H-inden-5-ol is sourced from PubChem (CID 140511722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).