1-[2-(2-hydroxyethoxy)naphthalen-1-yl]ethanone;1-(2-hydroxynaphthalen-1-yl)ethanone

C26H24O5 — CID 157383372

IUPAC1-[2-(2-hydroxyethoxy)naphthalen-1-yl]ethanone;1-(2-hydroxynaphthalen-1-yl)ethanone
SMILESCC(=O)c1c(O)ccc2ccccc12.CC(=O)c1c(OCCO)ccc2ccccc12
InChIInChI=1S/C14H14O3.C12H10O2/c1-10(16)14-12-5-3-2-4-11(12)6-7-13(14)17-9-8-15;1-8(13)12-10-5-3-2-4-9(10)6-7-11(12)14/h2-7,15H,8-9H2,1H3;2-7,14H,1H3
InChIKeyBLDMFFIGDYTUJC-UHFFFAOYSA-N
MW416.47 g/mol
LogP5.16
Rot. Bonds5

About 1-[2-(2-hydroxyethoxy)naphthalen-1-yl]ethanone;1-(2-hydroxynaphthalen-1-yl)ethanone

1-[2-(2-hydroxyethoxy)naphthalen-1-yl]ethanone;1-(2-hydroxynaphthalen-1-yl)ethanone (PubChem CID 157383372) has the molecular formula C26H24O5 and a molecular weight of 416.47 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)naphthalen-1-yl]ethanone;1-(2-hydroxynaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)naphthalen-1-yl]ethanone;1-(2-hydroxynaphthalen-1-yl)ethanone
PubChem CID157383372
Molecular FormulaC26H24O5
Molecular Weight416.47 g/mol
Exact Mass416.16
IUPAC Name1-[2-(2-hydroxyethoxy)naphthalen-1-yl]ethanone;1-(2-hydroxynaphthalen-1-yl)ethanone
SMILESCC(=O)c1c(O)ccc2ccccc12.CC(=O)c1c(OCCO)ccc2ccccc12
InChIInChI=1S/C14H14O3.C12H10O2/c1-10(16)14-12-5-3-2-4-11(12)6-7-13(14)17-9-8-15;1-8(13)12-10-5-3-2-4-9(10)6-7-11(12)14/h2-7,15H,8-9H2,1H3;2-7,14H,1H3
InChIKeyBLDMFFIGDYTUJC-UHFFFAOYSA-N
XLogP5.16
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.47
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2-hydroxyethoxy)naphthalen-1-yl]ethanone;1-(2-hydroxynaphthalen-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)naphthalen-1-yl]ethanone;1-(2-hydroxynaphthalen-1-yl)ethanone?
The IUPAC name of 1-[2-(2-hydroxyethoxy)naphthalen-1-yl]ethanone;1-(2-hydroxynaphthalen-1-yl)ethanone (CID 157383372) is 1-[2-(2-hydroxyethoxy)naphthalen-1-yl]ethanone;1-(2-hydroxynaphthalen-1-yl)ethanone.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)naphthalen-1-yl]ethanone;1-(2-hydroxynaphthalen-1-yl)ethanone?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)naphthalen-1-yl]ethanone;1-(2-hydroxynaphthalen-1-yl)ethanone is CC(=O)c1c(O)ccc2ccccc12.CC(=O)c1c(OCCO)ccc2ccccc12.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)naphthalen-1-yl]ethanone;1-(2-hydroxynaphthalen-1-yl)ethanone?
The InChIKey is BLDMFFIGDYTUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3.C12H10O2/c1-10(16)14-12-5-3-2-4-11(12)6-7-13(14)17-9-8-15;1-8(13)12-10-5-3-2-4-9(10)6-7-11(12)14/h2-7,15H,8-9H2,1H3;2-7,14H,1H3.
What are the key properties of 1-[2-(2-hydroxyethoxy)naphthalen-1-yl]ethanone;1-(2-hydroxynaphthalen-1-yl)ethanone?
1-[2-(2-hydroxyethoxy)naphthalen-1-yl]ethanone;1-(2-hydroxynaphthalen-1-yl)ethanone has a molecular weight of 416.47 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)naphthalen-1-yl]ethanone;1-(2-hydroxynaphthalen-1-yl)ethanone is sourced from PubChem (CID 157383372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).