1-(4-hydroxynaphthalen-1-yl)ethanone;methoxymethane

C14H16O3 — CID 174734462

IUPAC1-(4-hydroxynaphthalen-1-yl)ethanone;methoxymethane
SMILESCC(=O)c1ccc(O)c2ccccc12.COC
InChIInChI=1S/C12H10O2.C2H6O/c1-8(13)9-6-7-12(14)11-5-3-2-4-10(9)11;1-3-2/h2-7,14H,1H3;1-2H3
InChIKeyKJXXFAVYPJQTNA-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.01
Rot. Bonds1

About 1-(4-hydroxynaphthalen-1-yl)ethanone;methoxymethane

1-(4-hydroxynaphthalen-1-yl)ethanone;methoxymethane (PubChem CID 174734462) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(4-hydroxynaphthalen-1-yl)ethanone;methoxymethane.

Molecular Properties

Compound Name1-(4-hydroxynaphthalen-1-yl)ethanone;methoxymethane
PubChem CID174734462
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name1-(4-hydroxynaphthalen-1-yl)ethanone;methoxymethane
SMILESCC(=O)c1ccc(O)c2ccccc12.COC
InChIInChI=1S/C12H10O2.C2H6O/c1-8(13)9-6-7-12(14)11-5-3-2-4-10(9)11;1-3-2/h2-7,14H,1H3;1-2H3
InChIKeyKJXXFAVYPJQTNA-UHFFFAOYSA-N
XLogP3.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-hydroxynaphthalene-1-carboxylate
CID 22171384
1-(4-hydroxynaphthalen-1-yl)-2-methylpropan-1-one
CID 81252338
1-(4-hydroxynaphthalen-1-yl)prop-2-en-1-one
CID 154150476
2-(4-hydroxynaphthalen-1-yl)-2-oxoacetic acid
CID 24973228
(2-acetyl-6-hydroxyphenyl) acetate
CID 586390
2-(4-hydroxynaphthalen-1-yl)-2-oxoacetaldehyde
CID 174414961
1-(5-methylnaphthalen-1-yl)ethanone
CID 15563480
4-acetylnaphthalene-1-carbaldehyde
CID 59092057
1-(4-trimethylsilyloxynaphthalen-1-yl)ethanone
CID 167726517
1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone
CID 147717249
1-(4-hydroxynaphthalen-1-yl)-2-methyl-2-phenylpropan-1-one
CID 101237922
4-acetyl-N-phenylnaphthalene-1-carboxamide
CID 70204412

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxynaphthalen-1-yl)ethanone;methoxymethane?
The IUPAC name of 1-(4-hydroxynaphthalen-1-yl)ethanone;methoxymethane (CID 174734462) is 1-(4-hydroxynaphthalen-1-yl)ethanone;methoxymethane.
What is the SMILES notation for 1-(4-hydroxynaphthalen-1-yl)ethanone;methoxymethane?
The canonical SMILES for 1-(4-hydroxynaphthalen-1-yl)ethanone;methoxymethane is CC(=O)c1ccc(O)c2ccccc12.COC.
What is the InChIKey of 1-(4-hydroxynaphthalen-1-yl)ethanone;methoxymethane?
The InChIKey is KJXXFAVYPJQTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2.C2H6O/c1-8(13)9-6-7-12(14)11-5-3-2-4-10(9)11;1-3-2/h2-7,14H,1H3;1-2H3.
What are the key properties of 1-(4-hydroxynaphthalen-1-yl)ethanone;methoxymethane?
1-(4-hydroxynaphthalen-1-yl)ethanone;methoxymethane has a molecular weight of 232.28 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxynaphthalen-1-yl)ethanone;methoxymethane is sourced from PubChem (CID 174734462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).