3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol

C20H22O2 — CID 58219551

IUPAC3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1cc2c(cc1-c1cc3c(cc1O)CCCC3)CCCC2
InChIInChI=1S/C20H22O2/c21-19-11-15-7-3-1-5-13(15)9-17(19)18-10-14-6-2-4-8-16(14)12-20(18)22/h9-12,21-22H,1-8H2
InChIKeyCIJFHAKUBJEQMB-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.52
Rot. Bonds1

About 3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol

3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 58219551) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID58219551
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1cc2c(cc1-c1cc3c(cc1O)CCCC3)CCCC2
InChIInChI=1S/C20H22O2/c21-19-11-15-7-3-1-5-13(15)9-17(19)18-10-14-6-2-4-8-16(14)12-20(18)22/h9-12,21-22H,1-8H2
InChIKeyCIJFHAKUBJEQMB-UHFFFAOYSA-N
XLogP4.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 58219551) is 3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1cc2c(cc1-c1cc3c(cc1O)CCCC3)CCCC2.
What is the InChIKey of 3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is CIJFHAKUBJEQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c21-19-11-15-7-3-1-5-13(15)9-17(19)18-10-14-6-2-4-8-16(14)12-20(18)22/h9-12,21-22H,1-8H2.
What are the key properties of 3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?
3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 294.39 g/mol, XLogP of 4.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 58219551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).