1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol

C13H17FO2 — CID 115817551

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol
SMILESC=C(CC)CC(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H17FO2/c1-4-9(2)7-12(15)10-5-6-13(16-3)11(14)8-10/h5-6,8,12,15H,2,4,7H2,1,3H3
InChIKeyKIHGQGKYRPROLH-UHFFFAOYSA-N
MW224.27 g/mol
LogP3.22
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol

1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol (PubChem CID 115817551) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol
PubChem CID115817551
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol
SMILESC=C(CC)CC(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H17FO2/c1-4-9(2)7-12(15)10-5-6-13(16-3)11(14)8-10/h5-6,8,12,15H,2,4,7H2,1,3H3
InChIKeyKIHGQGKYRPROLH-UHFFFAOYSA-N
XLogP3.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluoro-3-methoxyphenyl)-3-methylidenepentan-1-ol
CID 115817518
1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-ol
CID 66044092
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83000611
3-(3-fluoro-4-methoxyphenyl)-N,3-dihydroxypropanamide
CID 71721752
2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 65130437
1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 62797147
1-(3-fluoro-4-methoxyphenyl)undecan-1-ol
CID 65151223
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 112510192
(1S)-1-(3-fluoro-4-methoxyphenyl)-3-methylbut-3-en-1-amine
CID 171221019
1-(3-fluoro-4-methoxyphenyl)-3-methylbut-3-en-1-amine
CID 105004270
1-(3-fluoro-4-methoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65134806

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol (CID 115817551) is 1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol is C=C(CC)CC(O)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol?
The InChIKey is KIHGQGKYRPROLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-4-9(2)7-12(15)10-5-6-13(16-3)11(14)8-10/h5-6,8,12,15H,2,4,7H2,1,3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol?
1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol has a molecular weight of 224.27 g/mol, XLogP of 3.22, 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)-3-methylidenepentan-1-ol is sourced from PubChem (CID 115817551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).