1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol

C12H15FO2 — CID 116659969

IUPAC1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol
SMILESC=CCC(O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C12H15FO2/c1-3-4-10(14)7-9-5-6-12(15-2)11(13)8-9/h3,5-6,8,10,14H,1,4,7H2,2H3
InChIKeyIZMOFLKOJVPPGP-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.31
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol

1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol (PubChem CID 116659969) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol
PubChem CID116659969
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol
SMILESC=CCC(O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C12H15FO2/c1-3-4-10(14)7-9-5-6-12(15-2)11(13)8-9/h3,5-6,8,10,14H,1,4,7H2,2H3
InChIKeyIZMOFLKOJVPPGP-UHFFFAOYSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 79086997
1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol
CID 62608783
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 65135833
1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol
CID 105084500
1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol
CID 105084457
1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 115782389
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
CID 62622685
1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63035603
1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63022137
1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782250
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63889804

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol (CID 116659969) is 1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol is C=CCC(O)Cc1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol?
The InChIKey is IZMOFLKOJVPPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-3-4-10(14)7-9-5-6-12(15-2)11(13)8-9/h3,5-6,8,10,14H,1,4,7H2,2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol?
1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol has a molecular weight of 210.25 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol is sourced from PubChem (CID 116659969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).