2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol

C14H21FO2 — CID 112592372

IUPAC2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol
SMILESCC(C)(C)OCCC(CO)c1cccc(F)c1
InChIInChI=1S/C14H21FO2/c1-14(2,3)17-8-7-12(10-16)11-5-4-6-13(15)9-11/h4-6,9,12,16H,7-8,10H2,1-3H3
InChIKeyZKVPZUGETIPJOX-UHFFFAOYSA-N
MW240.32 g/mol
LogP3.11
Rot. Bonds5

About 2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol

2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol (PubChem CID 112592372) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol
PubChem CID112592372
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Name2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol
SMILESCC(C)(C)OCCC(CO)c1cccc(F)c1
InChIInChI=1S/C14H21FO2/c1-14(2,3)17-8-7-12(10-16)11-5-4-6-13(15)9-11/h4-6,9,12,16H,7-8,10H2,1-3H3
InChIKeyZKVPZUGETIPJOX-UHFFFAOYSA-N
XLogP3.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 104568651
2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 79443233
1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105078293
4-ethylsulfonyl-2-(3-fluorophenyl)butan-1-ol
CID 79431449
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
methyl 5-(3-fluorophenyl)-6-hydroxy-2-phenylhexanoate
CID 175141706
1-bromo-3-[1-chloro-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]benzene
CID 112592474
2-(3-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diol
CID 112592515
1-(3-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105092686
2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol
CID 117243108
N-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine
CID 106457134
2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol
CID 79443461

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol?
The IUPAC name of 2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol (CID 112592372) is 2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol.
What is the SMILES notation for 2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol?
The canonical SMILES for 2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol is CC(C)(C)OCCC(CO)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol?
The InChIKey is ZKVPZUGETIPJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO2/c1-14(2,3)17-8-7-12(10-16)11-5-4-6-13(15)9-11/h4-6,9,12,16H,7-8,10H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol?
2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol has a molecular weight of 240.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-ol is sourced from PubChem (CID 112592372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).