5-(3-fluoro-4-methoxyphenyl)pent-4-yn-2-ol

C12H13FO2 — CID 146003400

IUPAC5-(3-fluoro-4-methoxyphenyl)pent-4-yn-2-ol
SMILESCOc1ccc(C#CCC(C)O)cc1F
InChIInChI=1S/C12H13FO2/c1-9(14)4-3-5-10-6-7-12(15-2)11(13)8-10/h6-9,14H,4H2,1-2H3
InChIKeyLRYQSMPJLISMNS-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.96
Rot. Bonds2

About 5-(3-fluoro-4-methoxyphenyl)pent-4-yn-2-ol

5-(3-fluoro-4-methoxyphenyl)pent-4-yn-2-ol (PubChem CID 146003400) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)pent-4-yn-2-ol.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)pent-4-yn-2-ol
PubChem CID146003400
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name5-(3-fluoro-4-methoxyphenyl)pent-4-yn-2-ol
SMILESCOc1ccc(C#CCC(C)O)cc1F
InChIInChI=1S/C12H13FO2/c1-9(14)4-3-5-10-6-7-12(15-2)11(13)8-10/h6-9,14H,4H2,1-2H3
InChIKeyLRYQSMPJLISMNS-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
CID 60799775
2-amino-N-[3-(3-fluoro-4-methoxyphenyl)prop-2-ynyl]acetamide
CID 114777679
(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906950
1-[[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]methyl-methylamino]propan-2-ol
CID 62337153
1-(3-fluoro-4-methoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65134806
2-ethyl-1-(3-fluoro-4-methoxyphenyl)butane-1,2-diol
CID 103449386
1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one
CID 103451541
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol
CID 116752804
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83000611
3-fluoro-4-methoxyphenol
CID 14661613
N-[3-(3-fluoro-4-methoxyphenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
CID 166626108

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)pent-4-yn-2-ol?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)pent-4-yn-2-ol (CID 146003400) is 5-(3-fluoro-4-methoxyphenyl)pent-4-yn-2-ol.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)pent-4-yn-2-ol?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)pent-4-yn-2-ol is COc1ccc(C#CCC(C)O)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)pent-4-yn-2-ol?
The InChIKey is LRYQSMPJLISMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-9(14)4-3-5-10-6-7-12(15-2)11(13)8-10/h6-9,14H,4H2,1-2H3.
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)pent-4-yn-2-ol?
5-(3-fluoro-4-methoxyphenyl)pent-4-yn-2-ol has a molecular weight of 208.23 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)pent-4-yn-2-ol is sourced from PubChem (CID 146003400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).