2-hydroxyethyl 4-fluoro-3-methylbenzoate

C10H11FO3 — CID 116862866

IUPAC2-hydroxyethyl 4-fluoro-3-methylbenzoate
SMILESCc1cc(C(=O)OCCO)ccc1F
InChIInChI=1S/C10H11FO3/c1-7-6-8(2-3-9(7)11)10(13)14-5-4-12/h2-3,6,12H,4-5H2,1H3
InChIKeyPAALPXBRZPLIDJ-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.28
Rot. Bonds3

About 2-hydroxyethyl 4-fluoro-3-methylbenzoate

2-hydroxyethyl 4-fluoro-3-methylbenzoate (PubChem CID 116862866) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-hydroxyethyl 4-fluoro-3-methylbenzoate.

Molecular Properties

Compound Name2-hydroxyethyl 4-fluoro-3-methylbenzoate
PubChem CID116862866
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-hydroxyethyl 4-fluoro-3-methylbenzoate
SMILESCc1cc(C(=O)OCCO)ccc1F
InChIInChI=1S/C10H11FO3/c1-7-6-8(2-3-9(7)11)10(13)14-5-4-12/h2-3,6,12H,4-5H2,1H3
InChIKeyPAALPXBRZPLIDJ-UHFFFAOYSA-N
XLogP1.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl Benzoate
CID 7150
Butyl Benzoate
CID 8698
Hexyl benzoate
CID 23235
Dimethyl isophthalate
CID 15088
Propyl Benzoate
CID 16846
3-Hexenyl benzoate, (3Z)-
CID 5367706
Prenyl benzoate
CID 21265
Ethyl benzoate
CID 7165
Isobutyl Benzoate
CID 61048
Isoamyl benzoate
CID 7193
2-Ethylhexyl benzoate
CID 94310
Isopropyl Benzoate
CID 13654

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4-fluoro-3-methylbenzoate?
The IUPAC name of 2-hydroxyethyl 4-fluoro-3-methylbenzoate (CID 116862866) is 2-hydroxyethyl 4-fluoro-3-methylbenzoate.
What is the SMILES notation for 2-hydroxyethyl 4-fluoro-3-methylbenzoate?
The canonical SMILES for 2-hydroxyethyl 4-fluoro-3-methylbenzoate is Cc1cc(C(=O)OCCO)ccc1F.
What is the InChIKey of 2-hydroxyethyl 4-fluoro-3-methylbenzoate?
The InChIKey is PAALPXBRZPLIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-7-6-8(2-3-9(7)11)10(13)14-5-4-12/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 2-hydroxyethyl 4-fluoro-3-methylbenzoate?
2-hydroxyethyl 4-fluoro-3-methylbenzoate has a molecular weight of 198.19 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4-fluoro-3-methylbenzoate is sourced from PubChem (CID 116862866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).