6-(2-hydroxy-3-phenoxypropoxy)-3,4-dihydro-2H-naphthalen-1-one

C19H20O4 — CID 109415774

IUPAC6-(2-hydroxy-3-phenoxypropoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(OCC(O)COc3ccccc3)ccc21
InChIInChI=1S/C19H20O4/c20-15(12-22-16-6-2-1-3-7-16)13-23-17-9-10-18-14(11-17)5-4-8-19(18)21/h1-3,6-7,9-11,15,20H,4-5,8,12-13H2
InChIKeyUUDIRNOAWJSNRE-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.02
Rot. Bonds6

About 6-(2-hydroxy-3-phenoxypropoxy)-3,4-dihydro-2H-naphthalen-1-one

6-(2-hydroxy-3-phenoxypropoxy)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 109415774) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-(2-hydroxy-3-phenoxypropoxy)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(2-hydroxy-3-phenoxypropoxy)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID109415774
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name6-(2-hydroxy-3-phenoxypropoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(OCC(O)COc3ccccc3)ccc21
InChIInChI=1S/C19H20O4/c20-15(12-22-16-6-2-1-3-7-16)13-23-17-9-10-18-14(11-17)5-4-8-19(18)21/h1-3,6-7,9-11,15,20H,4-5,8,12-13H2
InChIKeyUUDIRNOAWJSNRE-UHFFFAOYSA-N
XLogP3.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-3-phenoxypropoxy)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-(2-hydroxy-3-phenoxypropoxy)-3,4-dihydro-2H-naphthalen-1-one (CID 109415774) is 6-(2-hydroxy-3-phenoxypropoxy)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-(2-hydroxy-3-phenoxypropoxy)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-(2-hydroxy-3-phenoxypropoxy)-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(OCC(O)COc3ccccc3)ccc21.
What is the InChIKey of 6-(2-hydroxy-3-phenoxypropoxy)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is UUDIRNOAWJSNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c20-15(12-22-16-6-2-1-3-7-16)13-23-17-9-10-18-14(11-17)5-4-8-19(18)21/h1-3,6-7,9-11,15,20H,4-5,8,12-13H2.
What are the key properties of 6-(2-hydroxy-3-phenoxypropoxy)-3,4-dihydro-2H-naphthalen-1-one?
6-(2-hydroxy-3-phenoxypropoxy)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 312.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-3-phenoxypropoxy)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 109415774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).