ethanol;4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenol

C18H22O2 — CID 174803468

IUPACethanol;4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenol
SMILESCCO.Oc1ccc(-c2cccc3c2CCCC3)cc1
InChIInChI=1S/C16H16O.C2H6O/c17-14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16;1-2-3/h3,5,7-11,17H,1-2,4,6H2;3H,2H2,1H3
InChIKeyJMDFNWIDWGGCAF-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.94
Rot. Bonds1

About ethanol;4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenol

ethanol;4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenol (PubChem CID 174803468) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethanol;4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenol.

Molecular Properties

Compound Nameethanol;4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenol
PubChem CID174803468
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Nameethanol;4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenol
SMILESCCO.Oc1ccc(-c2cccc3c2CCCC3)cc1
InChIInChI=1S/C16H16O.C2H6O/c17-14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16;1-2-3/h3,5,7-11,17H,1-2,4,6H2;3H,2H2,1H3
InChIKeyJMDFNWIDWGGCAF-UHFFFAOYSA-N
XLogP3.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanol;4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenol?
The IUPAC name of ethanol;4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenol (CID 174803468) is ethanol;4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenol.
What is the SMILES notation for ethanol;4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenol?
The canonical SMILES for ethanol;4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenol is CCO.Oc1ccc(-c2cccc3c2CCCC3)cc1.
What is the InChIKey of ethanol;4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenol?
The InChIKey is JMDFNWIDWGGCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O.C2H6O/c17-14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16;1-2-3/h3,5,7-11,17H,1-2,4,6H2;3H,2H2,1H3.
What are the key properties of ethanol;4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenol?
ethanol;4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenol has a molecular weight of 270.37 g/mol, XLogP of 3.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenol is sourced from PubChem (CID 174803468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).