(4-hydroxynaphthalen-2-yl)methyl acetate

C13H12O3 — CID 150198029

IUPAC(4-hydroxynaphthalen-2-yl)methyl acetate
SMILESCC(=O)OCc1cc(O)c2ccccc2c1
InChIInChI=1S/C13H12O3/c1-9(14)16-8-10-6-11-4-2-3-5-12(11)13(15)7-10/h2-7,15H,8H2,1H3
InChIKeyFOVYZLQRGIQTLF-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.61
Rot. Bonds2

About (4-hydroxynaphthalen-2-yl)methyl acetate

(4-hydroxynaphthalen-2-yl)methyl acetate (PubChem CID 150198029) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is (4-hydroxynaphthalen-2-yl)methyl acetate.

Molecular Properties

Compound Name(4-hydroxynaphthalen-2-yl)methyl acetate
PubChem CID150198029
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name(4-hydroxynaphthalen-2-yl)methyl acetate
SMILESCC(=O)OCc1cc(O)c2ccccc2c1
InChIInChI=1S/C13H12O3/c1-9(14)16-8-10-6-11-4-2-3-5-12(11)13(15)7-10/h2-7,15H,8H2,1H3
InChIKeyFOVYZLQRGIQTLF-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-hydroxynaphthalen-2-yl)methyl acetate 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

anthracen-9-ylmethyl acetate
CID 27876
methyl (2R)-3-(4-hydroxynaphthalen-2-yl)-2-methoxypropanoate
CID 129394628
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
benzyl acetate
CID 8785
quinolin-3-ylmethyl acetate
CID 101032812
(4-fluoro-3-hydroxyphenyl)methyl acetate
CID 130354561
benzyl acetate;molecular nitrogen
CID 174861862
benzyl acetate;carbamic acid
CID 159542161
ethyl acetate;phenanthrene
CID 160726264
benzyl acetate;formonitrile
CID 175329925
2-(1-hydroxy-3-oxoisoquinolin-2-yl)ethyl acetate
CID 54327845
benzyl acetate;carbon monoxide;chromium
CID 11196913

Frequently Asked Questions

What is the IUPAC name of (4-hydroxynaphthalen-2-yl)methyl acetate?
The IUPAC name of (4-hydroxynaphthalen-2-yl)methyl acetate (CID 150198029) is (4-hydroxynaphthalen-2-yl)methyl acetate.
What is the SMILES notation for (4-hydroxynaphthalen-2-yl)methyl acetate?
The canonical SMILES for (4-hydroxynaphthalen-2-yl)methyl acetate is CC(=O)OCc1cc(O)c2ccccc2c1.
What is the InChIKey of (4-hydroxynaphthalen-2-yl)methyl acetate?
The InChIKey is FOVYZLQRGIQTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-9(14)16-8-10-6-11-4-2-3-5-12(11)13(15)7-10/h2-7,15H,8H2,1H3.
What are the key properties of (4-hydroxynaphthalen-2-yl)methyl acetate?
(4-hydroxynaphthalen-2-yl)methyl acetate has a molecular weight of 216.24 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxynaphthalen-2-yl)methyl acetate is sourced from PubChem (CID 150198029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).