(2,4-dihydroxyphenyl)methyl acetate

C9H10O4 — CID 102447193

IUPAC(2,4-dihydroxyphenyl)methyl acetate
SMILESCC(=O)OCc1ccc(O)cc1O
InChIInChI=1S/C9H10O4/c1-6(10)13-5-7-2-3-8(11)4-9(7)12/h2-4,11-12H,5H2,1H3
InChIKeySQXHALHKLSLQIX-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.16
Rot. Bonds2

About (2,4-dihydroxyphenyl)methyl acetate

(2,4-dihydroxyphenyl)methyl acetate (PubChem CID 102447193) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)methyl acetate.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)methyl acetate
PubChem CID102447193
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name(2,4-dihydroxyphenyl)methyl acetate
SMILESCC(=O)OCc1ccc(O)cc1O
InChIInChI=1S/C9H10O4/c1-6(10)13-5-7-2-3-8(11)4-9(7)12/h2-4,11-12H,5H2,1H3
InChIKeySQXHALHKLSLQIX-UHFFFAOYSA-N
XLogP1.16
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylbenzene-1,3-diol
CID 17927
4-ethylbenzene-1,3-diol;methoxymethane
CID 70585876
(3,4-difluoro-2-methylphenyl)methyl acetate
CID 130139606
(4-chloro-2-methylphenyl)methyl acetate
CID 91715961
(4-fluoro-3-hydroxyphenyl)methyl acetate
CID 130354561
(2-hydroxy-5-nitrophenyl)methyl acetate
CID 68967158
[3,7,8-tris(acetyloxymethyl)phenazin-2-yl]methyl acetate
CID 2748014
[3,5,7-tris(acetyloxymethyl)cycloocta-1,3,5,7-tetraen-1-yl]methyl acetate
CID 73449970
(3-acetamido-2,4-dimethylphenyl)methyl acetate
CID 141195730
(2-(18F)fluoro-5-methoxyphenyl)methyl acetate
CID 156599512
ethane;4-(fluoromethyl)benzene-1,3-diol
CID 172565118
benzene-1,3-diol;ethyl acetate
CID 175540003

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)methyl acetate?
The IUPAC name of (2,4-dihydroxyphenyl)methyl acetate (CID 102447193) is (2,4-dihydroxyphenyl)methyl acetate.
What is the SMILES notation for (2,4-dihydroxyphenyl)methyl acetate?
The canonical SMILES for (2,4-dihydroxyphenyl)methyl acetate is CC(=O)OCc1ccc(O)cc1O.
What is the InChIKey of (2,4-dihydroxyphenyl)methyl acetate?
The InChIKey is SQXHALHKLSLQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-6(10)13-5-7-2-3-8(11)4-9(7)12/h2-4,11-12H,5H2,1H3.
What are the key properties of (2,4-dihydroxyphenyl)methyl acetate?
(2,4-dihydroxyphenyl)methyl acetate has a molecular weight of 182.17 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)methyl acetate is sourced from PubChem (CID 102447193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).