1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol

C21H18O2 — CID 162414492

IUPAC1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol
SMILESCOc1ccc2ccccc2c1C1=C(O)CCc2ccccc21
InChIInChI=1S/C21H18O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-9,11,13,22H,10,12H2,1H3
InChIKeyOYBBWFHZIZBFGF-UHFFFAOYSA-N
MW302.37 g/mol
LogP5.11
Rot. Bonds2

About 1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol

1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol (PubChem CID 162414492) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol.

Molecular Properties

Compound Name1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol
PubChem CID162414492
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol
SMILESCOc1ccc2ccccc2c1C1=C(O)CCc2ccccc21
InChIInChI=1S/C21H18O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-9,11,13,22H,10,12H2,1H3
InChIKeyOYBBWFHZIZBFGF-UHFFFAOYSA-N
XLogP5.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.37
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol?
The IUPAC name of 1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol (CID 162414492) is 1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol.
What is the SMILES notation for 1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol?
The canonical SMILES for 1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol is COc1ccc2ccccc2c1C1=C(O)CCc2ccccc21.
What is the InChIKey of 1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol?
The InChIKey is OYBBWFHZIZBFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-9,11,13,22H,10,12H2,1H3.
What are the key properties of 1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol?
1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol has a molecular weight of 302.37 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol is sourced from PubChem (CID 162414492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).