ethyl formate;(3-fluoro-4-propylphenyl)methanol

C13H19FO3 — CID 144732330

IUPACethyl formate;(3-fluoro-4-propylphenyl)methanol
SMILESCCCc1ccc(CO)cc1F.CCOC=O
InChIInChI=1S/C10H13FO.C3H6O2/c1-2-3-9-5-4-8(7-12)6-10(9)11;1-2-5-3-4/h4-6,12H,2-3,7H2,1H3;3H,2H2,1H3
InChIKeyHXTRFNDWKXJWRQ-UHFFFAOYSA-N
MW242.29 g/mol
LogP2.45
Rot. Bonds5

About ethyl formate;(3-fluoro-4-propylphenyl)methanol

ethyl formate;(3-fluoro-4-propylphenyl)methanol (PubChem CID 144732330) has the molecular formula C13H19FO3 and a molecular weight of 242.29 g/mol. Its IUPAC name is ethyl formate;(3-fluoro-4-propylphenyl)methanol.

Molecular Properties

Compound Nameethyl formate;(3-fluoro-4-propylphenyl)methanol
PubChem CID144732330
Molecular FormulaC13H19FO3
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Nameethyl formate;(3-fluoro-4-propylphenyl)methanol
SMILESCCCc1ccc(CO)cc1F.CCOC=O
InChIInChI=1S/C10H13FO.C3H6O2/c1-2-3-9-5-4-8(7-12)6-10(9)11;1-2-5-3-4/h4-6,12H,2-3,7H2,1H3;3H,2H2,1H3
InChIKeyHXTRFNDWKXJWRQ-UHFFFAOYSA-N
XLogP2.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl formate;(3-fluoro-4-propylphenyl)methanol?
The IUPAC name of ethyl formate;(3-fluoro-4-propylphenyl)methanol (CID 144732330) is ethyl formate;(3-fluoro-4-propylphenyl)methanol.
What is the SMILES notation for ethyl formate;(3-fluoro-4-propylphenyl)methanol?
The canonical SMILES for ethyl formate;(3-fluoro-4-propylphenyl)methanol is CCCc1ccc(CO)cc1F.CCOC=O.
What is the InChIKey of ethyl formate;(3-fluoro-4-propylphenyl)methanol?
The InChIKey is HXTRFNDWKXJWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO.C3H6O2/c1-2-3-9-5-4-8(7-12)6-10(9)11;1-2-5-3-4/h4-6,12H,2-3,7H2,1H3;3H,2H2,1H3.
What are the key properties of ethyl formate;(3-fluoro-4-propylphenyl)methanol?
ethyl formate;(3-fluoro-4-propylphenyl)methanol has a molecular weight of 242.29 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;(3-fluoro-4-propylphenyl)methanol is sourced from PubChem (CID 144732330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).