1-(5-fluoro-2-methoxyphenyl)pentan-3-ol

C12H17FO2 — CID 82782849

IUPAC1-(5-fluoro-2-methoxyphenyl)pentan-3-ol
SMILESCCC(O)CCc1cc(F)ccc1OC
InChIInChI=1S/C12H17FO2/c1-3-11(14)6-4-9-8-10(13)5-7-12(9)15-2/h5,7-8,11,14H,3-4,6H2,1-2H3
InChIKeyMGZMSLJOTLWFID-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.54
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)pentan-3-ol

1-(5-fluoro-2-methoxyphenyl)pentan-3-ol (PubChem CID 82782849) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)pentan-3-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)pentan-3-ol
PubChem CID82782849
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name1-(5-fluoro-2-methoxyphenyl)pentan-3-ol
SMILESCCC(O)CCc1cc(F)ccc1OC
InChIInChI=1S/C12H17FO2/c1-3-11(14)6-4-9-8-10(13)5-7-12(9)15-2/h5,7-8,11,14H,3-4,6H2,1-2H3
InChIKeyMGZMSLJOTLWFID-UHFFFAOYSA-N
XLogP2.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloropentyl)-4-fluoro-1-methoxybenzene
CID 82782154
(4S)-1-(5-fluoro-2-methoxyphenyl)oct-7-en-4-ol
CID 129368321
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol
CID 82113404
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 82782609
[1-bromo-4-(5-fluoro-2-methoxyphenyl)butan-2-yl] acetate
CID 69246555
1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol
CID 83944242
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol
CID 142279599
4-fluoro-2-hex-3-ynyl-1-methoxybenzene
CID 83943934
5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol
CID 83944238
6-(2-fluoro-3-methoxyphenyl)hexan-3-ol
CID 104795145

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)pentan-3-ol?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)pentan-3-ol (CID 82782849) is 1-(5-fluoro-2-methoxyphenyl)pentan-3-ol.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)pentan-3-ol?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)pentan-3-ol is CCC(O)CCc1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)pentan-3-ol?
The InChIKey is MGZMSLJOTLWFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-3-11(14)6-4-9-8-10(13)5-7-12(9)15-2/h5,7-8,11,14H,3-4,6H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)pentan-3-ol?
1-(5-fluoro-2-methoxyphenyl)pentan-3-ol has a molecular weight of 212.26 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)pentan-3-ol is sourced from PubChem (CID 82782849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).