1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)naphthalen-1-yl]ethanone

C18H22O4 — CID 24469

IUPAC1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)naphthalen-1-yl]ethanone
SMILESCC(=O)c1ccc(OCC(O)COC(C)C)c2ccccc12
InChIInChI=1S/C18H22O4/c1-12(2)21-10-14(20)11-22-18-9-8-15(13(3)19)16-6-4-5-7-17(16)18/h4-9,12,14,20H,10-11H2,1-3H3
InChIKeyNFGWMGZNGLKAFF-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.21
Rot. Bonds7

About 1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)naphthalen-1-yl]ethanone

1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)naphthalen-1-yl]ethanone (PubChem CID 24469) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)naphthalen-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)naphthalen-1-yl]ethanone
PubChem CID24469
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)naphthalen-1-yl]ethanone
SMILESCC(=O)c1ccc(OCC(O)COC(C)C)c2ccccc12
InChIInChI=1S/C18H22O4/c1-12(2)21-10-14(20)11-22-18-9-8-15(13(3)19)16-6-4-5-7-17(16)18/h4-9,12,14,20H,10-11H2,1-3H3
InChIKeyNFGWMGZNGLKAFF-UHFFFAOYSA-N
XLogP3.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)naphthalen-1-yl]ethanone?
The IUPAC name of 1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)naphthalen-1-yl]ethanone (CID 24469) is 1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)naphthalen-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)naphthalen-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)naphthalen-1-yl]ethanone is CC(=O)c1ccc(OCC(O)COC(C)C)c2ccccc12.
What is the InChIKey of 1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)naphthalen-1-yl]ethanone?
The InChIKey is NFGWMGZNGLKAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-12(2)21-10-14(20)11-22-18-9-8-15(13(3)19)16-6-4-5-7-17(16)18/h4-9,12,14,20H,10-11H2,1-3H3.
What are the key properties of 1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)naphthalen-1-yl]ethanone?
1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)naphthalen-1-yl]ethanone has a molecular weight of 302.37 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)naphthalen-1-yl]ethanone is sourced from PubChem (CID 24469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).