1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone

C13H12O3 — CID 13085663

IUPAC1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone
SMILESCOc1ccc2c(C(C)=O)c(O)ccc2c1
InChIInChI=1S/C13H12O3/c1-8(14)13-11-5-4-10(16-2)7-9(11)3-6-12(13)15/h3-7,15H,1-2H3
InChIKeyRZUQAJQUXBAWFL-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.76
Rot. Bonds2

About 1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone

1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone (PubChem CID 13085663) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone
PubChem CID13085663
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone
SMILESCOc1ccc2c(C(C)=O)c(O)ccc2c1
InChIInChI=1S/C13H12O3/c1-8(14)13-11-5-4-10(16-2)7-9(11)3-6-12(13)15/h3-7,15H,1-2H3
InChIKeyRZUQAJQUXBAWFL-UHFFFAOYSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-hydroxy-6-methoxynaphthalen-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

Related Compounds

2-acetyl-6-methoxynaphthalene-1-carboxylic acid
CID 90348531
6-acetyloxy-2-hydroxynaphthalene-1-carboxylic acid
CID 70465846
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
1-(5-acetyl-3,6-dihydroxynaphthalen-2-yl)ethanone
CID 57373263
2-hydroxy-6-(8-methoxyoctoxy)naphthalene-1-carboxylic acid
CID 57045000
6-methoxy-1-[1-(6-methoxynaphthalen-2-yl)ethyl]naphthalen-2-ol
CID 71406120
4-hydroxy-6-methoxynaphthalene-2-carboxylic acid
CID 19868719
6-methoxy-1-piperidin-1-ylnaphthalen-2-ol
CID 141446934
6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid
CID 14256753
1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone
CID 91415101
(6-methoxynaphthalen-1-yl) acetate
CID 11424471
[3,5-bis(trifluoromethyl)phenyl]-(2,6-dimethoxynaphthalen-1-yl)methanone
CID 138858342

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone?
The IUPAC name of 1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone (CID 13085663) is 1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone?
The canonical SMILES for 1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone is COc1ccc2c(C(C)=O)c(O)ccc2c1.
What is the InChIKey of 1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone?
The InChIKey is RZUQAJQUXBAWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-8(14)13-11-5-4-10(16-2)7-9(11)3-6-12(13)15/h3-7,15H,1-2H3.
What are the key properties of 1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone?
1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone has a molecular weight of 216.24 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone is sourced from PubChem (CID 13085663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).