(4-fluoro-3-hydroxyphenyl)methyl acetate

C9H9FO3 — CID 130354561

IUPAC(4-fluoro-3-hydroxyphenyl)methyl acetate
SMILESCC(=O)OCc1ccc(F)c(O)c1
InChIInChI=1S/C9H9FO3/c1-6(11)13-5-7-2-3-8(10)9(12)4-7/h2-4,12H,5H2,1H3
InChIKeySRHLWROAHOEAAR-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.59
Rot. Bonds2

About (4-fluoro-3-hydroxyphenyl)methyl acetate

(4-fluoro-3-hydroxyphenyl)methyl acetate (PubChem CID 130354561) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is (4-fluoro-3-hydroxyphenyl)methyl acetate.

Molecular Properties

Compound Name(4-fluoro-3-hydroxyphenyl)methyl acetate
PubChem CID130354561
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name(4-fluoro-3-hydroxyphenyl)methyl acetate
SMILESCC(=O)OCc1ccc(F)c(O)c1
InChIInChI=1S/C9H9FO3/c1-6(11)13-5-7-2-3-8(10)9(12)4-7/h2-4,12H,5H2,1H3
InChIKeySRHLWROAHOEAAR-UHFFFAOYSA-N
XLogP1.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-ethylphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate
CID 68987644
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
(4-fluorophenyl)methyl acetate
CID 14793785
methyl 2-amino-3-(4-fluoro-3-hydroxyphenyl)propanoate
CID 77391788
(3-fluoro-4-methylsulfonylphenyl)methyl acetate
CID 151545058
[3-fluoro-4-[hydroxy(methoxy)methyl]phenyl]methyl acetate
CID 146606751
[4-[(4-cyclopropyloxyphenyl)methyl]-3-fluoro-5-hydroxyphenyl]methyl acetate
CID 68988840
5-(aminomethyl)-2-fluorophenol;hydrobromide
CID 68744209
(2,4-dihydroxyphenyl)methyl acetate
CID 102447193
(3-chloro-4-methylsulfanylphenyl)methyl acetate
CID 24820752
(4-hydroxynaphthalen-2-yl)methyl acetate
CID 150198029
CID 90816966
CID 90816966

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-hydroxyphenyl)methyl acetate?
The IUPAC name of (4-fluoro-3-hydroxyphenyl)methyl acetate (CID 130354561) is (4-fluoro-3-hydroxyphenyl)methyl acetate.
What is the SMILES notation for (4-fluoro-3-hydroxyphenyl)methyl acetate?
The canonical SMILES for (4-fluoro-3-hydroxyphenyl)methyl acetate is CC(=O)OCc1ccc(F)c(O)c1.
What is the InChIKey of (4-fluoro-3-hydroxyphenyl)methyl acetate?
The InChIKey is SRHLWROAHOEAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c1-6(11)13-5-7-2-3-8(10)9(12)4-7/h2-4,12H,5H2,1H3.
What are the key properties of (4-fluoro-3-hydroxyphenyl)methyl acetate?
(4-fluoro-3-hydroxyphenyl)methyl acetate has a molecular weight of 184.17 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-hydroxyphenyl)methyl acetate is sourced from PubChem (CID 130354561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).