(6-hydroxyanthracen-2-yl) acetate

C16H12O3 — CID 58800514

IUPAC(6-hydroxyanthracen-2-yl) acetate
SMILESCC(=O)Oc1ccc2cc3cc(O)ccc3cc2c1
InChIInChI=1S/C16H12O3/c1-10(17)19-16-5-3-12-6-13-8-15(18)4-2-11(13)7-14(12)9-16/h2-9,18H,1H3
InChIKeyLVHAPKVTHSNIOD-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.62
Rot. Bonds1

About (6-hydroxyanthracen-2-yl) acetate

(6-hydroxyanthracen-2-yl) acetate (PubChem CID 58800514) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is (6-hydroxyanthracen-2-yl) acetate.

Molecular Properties

Compound Name(6-hydroxyanthracen-2-yl) acetate
PubChem CID58800514
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name(6-hydroxyanthracen-2-yl) acetate
SMILESCC(=O)Oc1ccc2cc3cc(O)ccc3cc2c1
InChIInChI=1S/C16H12O3/c1-10(17)19-16-5-3-12-6-13-8-15(18)4-2-11(13)7-14(12)9-16/h2-9,18H,1H3
InChIKeyLVHAPKVTHSNIOD-UHFFFAOYSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-prop-1-en-2-yloxynaphthalen-2-ol
CID 58445580
(6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate
CID 70557557
(7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate
CID 91617195
(4-chloro-3-hydroxyphenyl) acetate
CID 11052361
(6,7-dihydroxynaphthalen-2-yl) hydrogen carbonate
CID 19781384
(3-acetyloxy-4-methylphenyl) acetate;4-methylbenzene-1,3-diol
CID 157361976
6-acetyloxy-2-hydroxynaphthalene-1-carboxylic acid
CID 70465846
[2-(6-hydroxynaphthalen-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;yttrium
CID 59524626
(4-hydroxy-3-methylphenyl) 6-acetyloxynaphthalene-2-carboxylate
CID 143504354
(3-acetyloxy-4-hydroxyphenyl) acetate
CID 54508975
[7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate
CID 4011744
(6-benzylnaphthalen-2-yl) acetate
CID 132602814

Frequently Asked Questions

What is the IUPAC name of (6-hydroxyanthracen-2-yl) acetate?
The IUPAC name of (6-hydroxyanthracen-2-yl) acetate (CID 58800514) is (6-hydroxyanthracen-2-yl) acetate.
What is the SMILES notation for (6-hydroxyanthracen-2-yl) acetate?
The canonical SMILES for (6-hydroxyanthracen-2-yl) acetate is CC(=O)Oc1ccc2cc3cc(O)ccc3cc2c1.
What is the InChIKey of (6-hydroxyanthracen-2-yl) acetate?
The InChIKey is LVHAPKVTHSNIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-10(17)19-16-5-3-12-6-13-8-15(18)4-2-11(13)7-14(12)9-16/h2-9,18H,1H3.
What are the key properties of (6-hydroxyanthracen-2-yl) acetate?
(6-hydroxyanthracen-2-yl) acetate has a molecular weight of 252.27 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxyanthracen-2-yl) acetate is sourced from PubChem (CID 58800514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).