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

C13H17FO2 — CID 115817518

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

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

1-(4-fluoro-3-methoxyphenyl)-3-methylidenepentan-1-ol (PubChem CID 115817518) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-3-methylidenepentan-1-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-3-methylidenepentan-1-ol
PubChem CID115817518
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-3-methylidenepentan-1-ol
SMILESC=C(CC)CC(O)c1ccc(F)c(OC)c1
InChIInChI=1S/C13H17FO2/c1-4-9(2)7-12(15)10-5-6-11(14)13(8-10)16-3/h5-6,8,12,15H,2,4,7H2,1,3H3
InChIKeyIEVZWAMZZRTJPN-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'}

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol
CID 115817551
1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-ol
CID 66044092
1-(4-fluoro-3-methoxyphenyl)-3-methylbut-3-en-1-ol
CID 115816783
1-(4-fluoro-3-methoxyphenyl)nonan-1-ol
CID 115783950
1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-amine
CID 66046502
1-(3,5-dimethoxyphenyl)-3-methylidenepentan-1-ol
CID 115817579
1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol
CID 83909820
2-(2,6-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
CID 115828418
3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propan-1-ol
CID 115810701
(1R,3R)-3-amino-4,4,4-trifluoro-1-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171237783
N-(2-ethoxyethyl)-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 82994797
2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
CID 115832675

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-3-methylidenepentan-1-ol?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-3-methylidenepentan-1-ol (CID 115817518) is 1-(4-fluoro-3-methoxyphenyl)-3-methylidenepentan-1-ol.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-3-methylidenepentan-1-ol?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-3-methylidenepentan-1-ol is C=C(CC)CC(O)c1ccc(F)c(OC)c1.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-3-methylidenepentan-1-ol?
The InChIKey is IEVZWAMZZRTJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-4-9(2)7-12(15)10-5-6-11(14)13(8-10)16-3/h5-6,8,12,15H,2,4,7H2,1,3H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-3-methylidenepentan-1-ol?
1-(4-fluoro-3-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-(4-fluoro-3-methoxyphenyl)-3-methylidenepentan-1-ol is sourced from PubChem (CID 115817518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).