1-[1-hydroxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]naphthalen-2-yl]ethanone

C17H18O4 — CID 46850645

IUPAC1-[1-hydroxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]naphthalen-2-yl]ethanone
SMILESCC(=O)c1c(CC2(C)OCCO2)cc2ccccc2c1O
InChIInChI=1S/C17H18O4/c1-11(18)15-13(10-17(2)20-7-8-21-17)9-12-5-3-4-6-14(12)16(15)19/h3-6,9,19H,7-8,10H2,1-2H3
InChIKeyVEGUYPFCHLPGIC-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.05
Rot. Bonds3

About 1-[1-hydroxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]naphthalen-2-yl]ethanone

1-[1-hydroxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]naphthalen-2-yl]ethanone (PubChem CID 46850645) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[1-hydroxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-hydroxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]naphthalen-2-yl]ethanone
PubChem CID46850645
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name1-[1-hydroxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]naphthalen-2-yl]ethanone
SMILESCC(=O)c1c(CC2(C)OCCO2)cc2ccccc2c1O
InChIInChI=1S/C17H18O4/c1-11(18)15-13(10-17(2)20-7-8-21-17)9-12-5-3-4-6-14(12)16(15)19/h3-6,9,19H,7-8,10H2,1-2H3
InChIKeyVEGUYPFCHLPGIC-UHFFFAOYSA-N
XLogP3.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]anthracene-9,10-dione
CID 10521813
1-(4-acetyl-2,3-dihydroxynaphthalen-1-yl)ethanone
CID 57373259
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
1-(1-hydroxyanthracen-9-yl)ethanone
CID 21140475
2-hydroxy-3-(hydroxymethyl)naphthalene-1-carbaldehyde
CID 10584242
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride
CID 174494917
1-(2,3-dimethylnaphthalen-1-yl)ethanone
CID 19884371
1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121
2-ethenyl-3-ethylnaphthalen-1-ol
CID 91051523
1-(10-acetylanthracen-9-yl)ethanone
CID 12739255
dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate
CID 2752722
1-(6-ethyl-4-hydroxy-1-benzofuran-5-yl)ethanone
CID 121399839

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]naphthalen-2-yl]ethanone?
The IUPAC name of 1-[1-hydroxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]naphthalen-2-yl]ethanone (CID 46850645) is 1-[1-hydroxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]naphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[1-hydroxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]naphthalen-2-yl]ethanone?
The canonical SMILES for 1-[1-hydroxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]naphthalen-2-yl]ethanone is CC(=O)c1c(CC2(C)OCCO2)cc2ccccc2c1O.
What is the InChIKey of 1-[1-hydroxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]naphthalen-2-yl]ethanone?
The InChIKey is VEGUYPFCHLPGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-11(18)15-13(10-17(2)20-7-8-21-17)9-12-5-3-4-6-14(12)16(15)19/h3-6,9,19H,7-8,10H2,1-2H3.
What are the key properties of 1-[1-hydroxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]naphthalen-2-yl]ethanone?
1-[1-hydroxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]naphthalen-2-yl]ethanone has a molecular weight of 286.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]naphthalen-2-yl]ethanone is sourced from PubChem (CID 46850645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).