1-[(2S)-2-hydroxy-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

C20H24O2 — CID 163521680

IUPAC1-[(2S)-2-hydroxy-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1C1=C3CCCCC3=CC[C@@H]1O)CCCC2
InChIInChI=1S/C20H24O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h9-11,18,21-22H,1-8,12H2/t18-/m0/s1
InChIKeyDLJDCOMLAHVDMF-SFHVURJKSA-N
MW296.41 g/mol
LogP4.29
Rot. Bonds1

About 1-[(2S)-2-hydroxy-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

1-[(2S)-2-hydroxy-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 163521680) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID163521680
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name1-[(2S)-2-hydroxy-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1C1=C3CCCCC3=CC[C@@H]1O)CCCC2
InChIInChI=1S/C20H24O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h9-11,18,21-22H,1-8,12H2/t18-/m0/s1
InChIKeyDLJDCOMLAHVDMF-SFHVURJKSA-N
XLogP4.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 1-[(2S)-2-hydroxy-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 163521680) is 1-[(2S)-2-hydroxy-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 1-[(2S)-2-hydroxy-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 1-[(2S)-2-hydroxy-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1ccc2c(c1C1=C3CCCCC3=CC[C@@H]1O)CCCC2.
What is the InChIKey of 1-[(2S)-2-hydroxy-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is DLJDCOMLAHVDMF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h9-11,18,21-22H,1-8,12H2/t18-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxy-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
1-[(2S)-2-hydroxy-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 296.41 g/mol, XLogP of 4.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 163521680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).