1-(2-hydroxy-4a,8a-dihydronaphthalen-1-yl)-2,3-dihydronaphthalen-2-ol

C20H18O2 — CID 88908159

IUPAC1-(2-hydroxy-4a,8a-dihydronaphthalen-1-yl)-2,3-dihydronaphthalen-2-ol
SMILESOC1=C(C2=c3ccccc3=CCC2O)C2C=CC=CC2C=C1
InChIInChI=1S/C20H18O2/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/h1-11,13,15,18,21-22H,12H2
InChIKeyBQEQVLOEGSNQJD-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.12
Rot. Bonds1

About 1-(2-hydroxy-4a,8a-dihydronaphthalen-1-yl)-2,3-dihydronaphthalen-2-ol

1-(2-hydroxy-4a,8a-dihydronaphthalen-1-yl)-2,3-dihydronaphthalen-2-ol (PubChem CID 88908159) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2-hydroxy-4a,8a-dihydronaphthalen-1-yl)-2,3-dihydronaphthalen-2-ol.

Molecular Properties

Compound Name1-(2-hydroxy-4a,8a-dihydronaphthalen-1-yl)-2,3-dihydronaphthalen-2-ol
PubChem CID88908159
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name1-(2-hydroxy-4a,8a-dihydronaphthalen-1-yl)-2,3-dihydronaphthalen-2-ol
SMILESOC1=C(C2=c3ccccc3=CCC2O)C2C=CC=CC2C=C1
InChIInChI=1S/C20H18O2/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/h1-11,13,15,18,21-22H,12H2
InChIKeyBQEQVLOEGSNQJD-UHFFFAOYSA-N
XLogP2.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4a,8a-dihydronaphthalen-1-yl)-2,3-dihydronaphthalen-2-ol?
The IUPAC name of 1-(2-hydroxy-4a,8a-dihydronaphthalen-1-yl)-2,3-dihydronaphthalen-2-ol (CID 88908159) is 1-(2-hydroxy-4a,8a-dihydronaphthalen-1-yl)-2,3-dihydronaphthalen-2-ol.
What is the SMILES notation for 1-(2-hydroxy-4a,8a-dihydronaphthalen-1-yl)-2,3-dihydronaphthalen-2-ol?
The canonical SMILES for 1-(2-hydroxy-4a,8a-dihydronaphthalen-1-yl)-2,3-dihydronaphthalen-2-ol is OC1=C(C2=c3ccccc3=CCC2O)C2C=CC=CC2C=C1.
What is the InChIKey of 1-(2-hydroxy-4a,8a-dihydronaphthalen-1-yl)-2,3-dihydronaphthalen-2-ol?
The InChIKey is BQEQVLOEGSNQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/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/h1-11,13,15,18,21-22H,12H2.
What are the key properties of 1-(2-hydroxy-4a,8a-dihydronaphthalen-1-yl)-2,3-dihydronaphthalen-2-ol?
1-(2-hydroxy-4a,8a-dihydronaphthalen-1-yl)-2,3-dihydronaphthalen-2-ol has a molecular weight of 290.36 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4a,8a-dihydronaphthalen-1-yl)-2,3-dihydronaphthalen-2-ol is sourced from PubChem (CID 88908159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).