(3-hydroxyphenyl)methyl acetate

C9H10O3 — CID 11094990

IUPAC(3-hydroxyphenyl)methyl acetate
SMILESCC(=O)OCc1cccc(O)c1
InChIInChI=1S/C9H10O3/c1-7(10)12-6-8-3-2-4-9(11)5-8/h2-5,11H,6H2,1H3
InChIKeyOUIXENXOUKVZBO-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.46
Rot. Bonds2

About (3-hydroxyphenyl)methyl acetate

(3-hydroxyphenyl)methyl acetate (PubChem CID 11094990) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is (3-hydroxyphenyl)methyl acetate.

Molecular Properties

Compound Name(3-hydroxyphenyl)methyl acetate
PubChem CID11094990
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name(3-hydroxyphenyl)methyl acetate
SMILESCC(=O)OCc1cccc(O)c1
InChIInChI=1S/C9H10O3/c1-7(10)12-6-8-3-2-4-9(11)5-8/h2-5,11H,6H2,1H3
InChIKeyOUIXENXOUKVZBO-UHFFFAOYSA-N
XLogP1.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)methyl acetate?
The IUPAC name of (3-hydroxyphenyl)methyl acetate (CID 11094990) is (3-hydroxyphenyl)methyl acetate.
What is the SMILES notation for (3-hydroxyphenyl)methyl acetate?
The canonical SMILES for (3-hydroxyphenyl)methyl acetate is CC(=O)OCc1cccc(O)c1.
What is the InChIKey of (3-hydroxyphenyl)methyl acetate?
The InChIKey is OUIXENXOUKVZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-7(10)12-6-8-3-2-4-9(11)5-8/h2-5,11H,6H2,1H3.
What are the key properties of (3-hydroxyphenyl)methyl acetate?
(3-hydroxyphenyl)methyl acetate has a molecular weight of 166.18 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)methyl acetate is sourced from PubChem (CID 11094990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).