2-(3-ethoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

C18H20O3 — CID 62336546

IUPAC2-(3-ethoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCOc1cccc(OC2CCc3ccccc3C2O)c1
InChIInChI=1S/C18H20O3/c1-2-20-14-7-5-8-15(12-14)21-17-11-10-13-6-3-4-9-16(13)18(17)19/h3-9,12,17-19H,2,10-11H2,1H3
InChIKeySMHAEOWRWBEXMZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.51
Rot. Bonds4

About 2-(3-ethoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

2-(3-ethoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 62336546) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(3-ethoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-(3-ethoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID62336546
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-(3-ethoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCOc1cccc(OC2CCc3ccccc3C2O)c1
InChIInChI=1S/C18H20O3/c1-2-20-14-7-5-8-15(12-14)21-17-11-10-13-6-3-4-9-16(13)18(17)19/h3-9,12,17-19H,2,10-11H2,1H3
InChIKeySMHAEOWRWBEXMZ-UHFFFAOYSA-N
XLogP3.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-(3-ethoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 62336546) is 2-(3-ethoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-(3-ethoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-(3-ethoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is CCOc1cccc(OC2CCc3ccccc3C2O)c1.
What is the InChIKey of 2-(3-ethoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is SMHAEOWRWBEXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-2-20-14-7-5-8-15(12-14)21-17-11-10-13-6-3-4-9-16(13)18(17)19/h3-9,12,17-19H,2,10-11H2,1H3.
What are the key properties of 2-(3-ethoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
2-(3-ethoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 284.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 62336546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).