1-(3-fluorophenyl)-4-methoxybutan-2-ol

C11H15FO2 — CID 61412399

IUPAC1-(3-fluorophenyl)-4-methoxybutan-2-ol
SMILESCOCCC(O)Cc1cccc(F)c1
InChIInChI=1S/C11H15FO2/c1-14-6-5-11(13)8-9-3-2-4-10(12)7-9/h2-4,7,11,13H,5-6,8H2,1H3
InChIKeyHTMURXZSPJNWBC-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.77
Rot. Bonds5

About 1-(3-fluorophenyl)-4-methoxybutan-2-ol

1-(3-fluorophenyl)-4-methoxybutan-2-ol (PubChem CID 61412399) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-methoxybutan-2-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-methoxybutan-2-ol
PubChem CID61412399
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name1-(3-fluorophenyl)-4-methoxybutan-2-ol
SMILESCOCCC(O)Cc1cccc(F)c1
InChIInChI=1S/C11H15FO2/c1-14-6-5-11(13)8-9-3-2-4-10(12)7-9/h2-4,7,11,13H,5-6,8H2,1H3
InChIKeyHTMURXZSPJNWBC-UHFFFAOYSA-N
XLogP1.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(3-fluorophenyl)pentan-2-ol
CID 89187255
1-(3-fluorophenyl)-5-methoxyhexan-2-ol
CID 105078984
ethane;1-(3-fluorophenyl)pentan-2-ol
CID 143267785
1-(3-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 60798027
1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol
CID 62608783
1-(3,5-difluorophenyl)-5-methoxypentan-2-ol
CID 115601584
5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol
CID 65095282
1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol
CID 55149163
N-tert-butyl-2-[(3-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62515251
1-(3-chlorophenyl)-5-methoxypentan-2-ol
CID 62608166
1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 63016216
5-[4-(3-fluorophenyl)-3-hydroxybutyl]pyrrol-2-one
CID 141051948

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-methoxybutan-2-ol?
The IUPAC name of 1-(3-fluorophenyl)-4-methoxybutan-2-ol (CID 61412399) is 1-(3-fluorophenyl)-4-methoxybutan-2-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-4-methoxybutan-2-ol?
The canonical SMILES for 1-(3-fluorophenyl)-4-methoxybutan-2-ol is COCCC(O)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-4-methoxybutan-2-ol?
The InChIKey is HTMURXZSPJNWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-14-6-5-11(13)8-9-3-2-4-10(12)7-9/h2-4,7,11,13H,5-6,8H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-4-methoxybutan-2-ol?
1-(3-fluorophenyl)-4-methoxybutan-2-ol has a molecular weight of 198.24 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-methoxybutan-2-ol is sourced from PubChem (CID 61412399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).