3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol

C12H13FO3 — CID 104706465

IUPAC3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol
SMILESCOc1ccc(OCCF)c(C#CCO)c1
InChIInChI=1S/C12H13FO3/c1-15-11-4-5-12(16-8-6-13)10(9-11)3-2-7-14/h4-5,9,14H,6-8H2,1H3
InChIKeyGJQOJZNQYFBXQM-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.39
Rot. Bonds4

About 3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol

3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol (PubChem CID 104706465) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol
PubChem CID104706465
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol
SMILESCOc1ccc(OCCF)c(C#CCO)c1
InChIInChI=1S/C12H13FO3/c1-15-11-4-5-12(16-8-6-13)10(9-11)3-2-7-14/h4-5,9,14H,6-8H2,1H3
InChIKeyGJQOJZNQYFBXQM-UHFFFAOYSA-N
XLogP1.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-amine
CID 104706926
3-[2-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]prop-2-yn-1-ol
CID 104706556
3-[2-(2,2-difluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol
CID 104706494
3-[5-methoxy-2-(2-pyridin-2-ylethoxy)phenyl]prop-2-yn-1-ol
CID 104706560
4-[2-(2-fluoroethoxy)-5-methylphenyl]but-3-yn-1-ol
CID 80694141
3-[2-fluoro-4-(2-fluoroethoxy)phenyl]prop-2-yn-1-ol
CID 80695113
3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 104706417
3-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-amine
CID 104706985
2-[2-(3-hydroxyprop-1-ynyl)-4-methoxyphenyl]acetic acid
CID 169485688
1-[2-[2-(3-chloroprop-1-ynyl)-4-methoxyphenoxy]ethyl]piperidine
CID 104706668
3-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-yn-1-ol
CID 103411388
3-[5-(3-hydroxyprop-1-ynyl)-2,4-dimethoxyphenyl]prop-2-yn-1-ol
CID 71346014

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol (CID 104706465) is 3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol is COc1ccc(OCCF)c(C#CCO)c1.
What is the InChIKey of 3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol?
The InChIKey is GJQOJZNQYFBXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c1-15-11-4-5-12(16-8-6-13)10(9-11)3-2-7-14/h4-5,9,14H,6-8H2,1H3.
What are the key properties of 3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol?
3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol has a molecular weight of 224.23 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluoroethoxy)-5-methoxyphenyl]prop-2-yn-1-ol is sourced from PubChem (CID 104706465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).