(2,3-dihydroxynaphthalen-1-yl) acetate

C12H10O4 — CID 154088408

IUPAC(2,3-dihydroxynaphthalen-1-yl) acetate
SMILESCC(=O)Oc1c(O)c(O)cc2ccccc12
InChIInChI=1S/C12H10O4/c1-7(13)16-12-9-5-3-2-4-8(9)6-10(14)11(12)15/h2-6,14-15H,1H3
InChIKeyMAXFADDCSLCQFP-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.18
Rot. Bonds1

About (2,3-dihydroxynaphthalen-1-yl) acetate

(2,3-dihydroxynaphthalen-1-yl) acetate (PubChem CID 154088408) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2,3-dihydroxynaphthalen-1-yl) acetate.

Molecular Properties

Compound Name(2,3-dihydroxynaphthalen-1-yl) acetate
PubChem CID154088408
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name(2,3-dihydroxynaphthalen-1-yl) acetate
SMILESCC(=O)Oc1c(O)c(O)cc2ccccc12
InChIInChI=1S/C12H10O4/c1-7(13)16-12-9-5-3-2-4-8(9)6-10(14)11(12)15/h2-6,14-15H,1H3
InChIKeyMAXFADDCSLCQFP-UHFFFAOYSA-N
XLogP2.18
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2,3-dihydroxynaphthalen-1-yl) 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

(3-iodo-2-methylnaphthalen-1-yl) acetate
CID 118556797
(2,6-dihydroxyphenyl) acetate
CID 19910305
(3-sulfanylnaphthalen-1-yl) acetate
CID 152863345
(4-acetyloxy-2,3-dimethylnaphthalen-1-yl) acetate
CID 4077745
methyl 1-acetyloxynaphthalene-2-carboxylate
CID 131865664
anthracen-9-ylmethyl acetate
CID 27876
(4-hydroxynaphthalen-2-yl)methyl acetate
CID 150198029
anthracen-9-yl 2-methylbut-2-enoate
CID 173150522
[2-acetyloxy-3-(C-acetyloxy-N-phenylcarbonimidoyl)naphthalen-1-yl] acetate
CID 57333019
(2-hydroxyphenanthridin-1-yl) acetate
CID 140732919
(4-hydroxy-2-methoxy-3-methylnaphthalen-1-yl) acetate
CID 19873003
(7-hydroxynaphthalen-1-yl) acetate
CID 130034551

Frequently Asked Questions

What is the IUPAC name of (2,3-dihydroxynaphthalen-1-yl) acetate?
The IUPAC name of (2,3-dihydroxynaphthalen-1-yl) acetate (CID 154088408) is (2,3-dihydroxynaphthalen-1-yl) acetate.
What is the SMILES notation for (2,3-dihydroxynaphthalen-1-yl) acetate?
The canonical SMILES for (2,3-dihydroxynaphthalen-1-yl) acetate is CC(=O)Oc1c(O)c(O)cc2ccccc12.
What is the InChIKey of (2,3-dihydroxynaphthalen-1-yl) acetate?
The InChIKey is MAXFADDCSLCQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-7(13)16-12-9-5-3-2-4-8(9)6-10(14)11(12)15/h2-6,14-15H,1H3.
What are the key properties of (2,3-dihydroxynaphthalen-1-yl) acetate?
(2,3-dihydroxynaphthalen-1-yl) acetate has a molecular weight of 218.21 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihydroxynaphthalen-1-yl) acetate is sourced from PubChem (CID 154088408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).