(7-hydroxynaphthalen-1-yl) acetate

C12H10O3 — CID 130034551

IUPAC(7-hydroxynaphthalen-1-yl) acetate
SMILESCC(=O)Oc1cccc2ccc(O)cc12
InChIInChI=1S/C12H10O3/c1-8(13)15-12-4-2-3-9-5-6-10(14)7-11(9)12/h2-7,14H,1H3
InChIKeyZZCYWRNODYRNPJ-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.47
Rot. Bonds1

About (7-hydroxynaphthalen-1-yl) acetate

(7-hydroxynaphthalen-1-yl) acetate (PubChem CID 130034551) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is (7-hydroxynaphthalen-1-yl) acetate.

Molecular Properties

Compound Name(7-hydroxynaphthalen-1-yl) acetate
PubChem CID130034551
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name(7-hydroxynaphthalen-1-yl) acetate
SMILESCC(=O)Oc1cccc2ccc(O)cc12
InChIInChI=1S/C12H10O3/c1-8(13)15-12-4-2-3-9-5-6-10(14)7-11(9)12/h2-7,14H,1H3
InChIKeyZZCYWRNODYRNPJ-UHFFFAOYSA-N
XLogP2.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium
CID 59524574
(7-methylnaphthalen-1-yl) acetate
CID 14143437
(7-hydroxynaphthalen-1-yl) 2,2-dimethylbutanoate
CID 57120356
[7-acetyloxy-6-(bromomethyl)naphthalen-1-yl] acetate
CID 22615852
(6-methylnaphthalen-1-yl) acetate
CID 14143439
(7-hydroxynaphthalen-1-yl) dihydrogen phosphate
CID 153322561
(7-hexoxynaphthalen-1-yl) acetate
CID 150519564
(6-methoxynaphthalen-1-yl) acetate
CID 11424471
(6-propan-2-ylnaphthalen-1-yl) acetate
CID 66701669
(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 150370008
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
(2,3-diethoxyphenyl) acetate
CID 19833387

Frequently Asked Questions

What is the IUPAC name of (7-hydroxynaphthalen-1-yl) acetate?
The IUPAC name of (7-hydroxynaphthalen-1-yl) acetate (CID 130034551) is (7-hydroxynaphthalen-1-yl) acetate.
What is the SMILES notation for (7-hydroxynaphthalen-1-yl) acetate?
The canonical SMILES for (7-hydroxynaphthalen-1-yl) acetate is CC(=O)Oc1cccc2ccc(O)cc12.
What is the InChIKey of (7-hydroxynaphthalen-1-yl) acetate?
The InChIKey is ZZCYWRNODYRNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-8(13)15-12-4-2-3-9-5-6-10(14)7-11(9)12/h2-7,14H,1H3.
What are the key properties of (7-hydroxynaphthalen-1-yl) acetate?
(7-hydroxynaphthalen-1-yl) acetate has a molecular weight of 202.21 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxynaphthalen-1-yl) acetate is sourced from PubChem (CID 130034551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).