3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propan-1-ol

C13H17FO2 — CID 115810701

IUPAC3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propan-1-ol
SMILESCOc1cc(C(O)CCC2CC2)ccc1F
InChIInChI=1S/C13H17FO2/c1-16-13-8-10(5-6-11(13)14)12(15)7-4-9-2-3-9/h5-6,8-9,12,15H,2-4,7H2,1H3
InChIKeyMNHHITJSASNXMP-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.06
Rot. Bonds5

About 3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propan-1-ol

3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propan-1-ol (PubChem CID 115810701) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propan-1-ol
PubChem CID115810701
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propan-1-ol
SMILESCOc1cc(C(O)CCC2CC2)ccc1F
InChIInChI=1S/C13H17FO2/c1-16-13-8-10(5-6-11(13)14)12(15)7-4-9-2-3-9/h5-6,8-9,12,15H,2-4,7H2,1H3
InChIKeyMNHHITJSASNXMP-UHFFFAOYSA-N
XLogP3.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propyl]hydrazine
CID 105315091
1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol
CID 115789579
1-(4-fluoro-3-methoxyphenyl)nonan-1-ol
CID 115783950
cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol
CID 115829463
2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 112693539
1-(4-fluoro-3-methoxyphenyl)-3-methylbut-3-en-1-ol
CID 115816783
1-(4-fluoro-3-methoxyphenyl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine
CID 83059488
(1R,3R)-3-amino-4,4,4-trifluoro-1-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171237783
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol
CID 70910103
1-(4-fluoro-3-methoxyphenyl)-3-methylidenepentan-1-ol
CID 115817518
[2-cyclopentyl-1-(4-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105299048
1-(3-bromo-4-methylphenyl)-3-cyclopropylpropan-1-ol
CID 115810923

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propan-1-ol (CID 115810701) is 3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propan-1-ol is COc1cc(C(O)CCC2CC2)ccc1F.
What is the InChIKey of 3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propan-1-ol?
The InChIKey is MNHHITJSASNXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-16-13-8-10(5-6-11(13)14)12(15)7-4-9-2-3-9/h5-6,8-9,12,15H,2-4,7H2,1H3.
What are the key properties of 3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propan-1-ol?
3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propan-1-ol has a molecular weight of 224.28 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 115810701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).