1-(3-fluoro-5-propan-2-ylphenyl)-3-methylbutan-2-ol

C14H21FO — CID 130224243

IUPAC1-(3-fluoro-5-propan-2-ylphenyl)-3-methylbutan-2-ol
SMILESCC(C)c1cc(F)cc(CC(O)C(C)C)c1
InChIInChI=1S/C14H21FO/c1-9(2)12-5-11(6-13(15)8-12)7-14(16)10(3)4/h5-6,8-10,14,16H,7H2,1-4H3
InChIKeyBIDYMYBVKATQMU-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.51
Rot. Bonds4

About 1-(3-fluoro-5-propan-2-ylphenyl)-3-methylbutan-2-ol

1-(3-fluoro-5-propan-2-ylphenyl)-3-methylbutan-2-ol (PubChem CID 130224243) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-(3-fluoro-5-propan-2-ylphenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3-fluoro-5-propan-2-ylphenyl)-3-methylbutan-2-ol
PubChem CID130224243
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name1-(3-fluoro-5-propan-2-ylphenyl)-3-methylbutan-2-ol
SMILESCC(C)c1cc(F)cc(CC(O)C(C)C)c1
InChIInChI=1S/C14H21FO/c1-9(2)12-5-11(6-13(15)8-12)7-14(16)10(3)4/h5-6,8-10,14,16H,7H2,1-4H3
InChIKeyBIDYMYBVKATQMU-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-fluoro-5-propan-2-ylphenyl)methanol
CID 59192640
2-(3-fluoro-5-propan-2-ylphenyl)acetonitrile
CID 84767390
1-(3,5-difluorophenyl)-2-methylpentan-3-ol
CID 105407726
3-(3-fluoro-5-propan-2-ylphenyl)propanal
CID 117284667
1-(3,5-difluorophenyl)hexane-2,3-diol
CID 103454783
1-[(3,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
CID 109481996
1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene
CID 118404669
2-amino-1-(3-fluoro-5-propan-2-ylphenyl)ethanone
CID 84773566
1-(3-chloro-5-propan-2-ylphenyl)propan-2-ol
CID 117303457
(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol;dihydrochloride
CID 57487288
1-(3-bromo-5-fluorophenyl)-3-ethylpentan-2-ol
CID 79703019
1-(2-chloropropyl)-3,5-difluorobenzene
CID 126973917

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-propan-2-ylphenyl)-3-methylbutan-2-ol?
The IUPAC name of 1-(3-fluoro-5-propan-2-ylphenyl)-3-methylbutan-2-ol (CID 130224243) is 1-(3-fluoro-5-propan-2-ylphenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(3-fluoro-5-propan-2-ylphenyl)-3-methylbutan-2-ol?
The canonical SMILES for 1-(3-fluoro-5-propan-2-ylphenyl)-3-methylbutan-2-ol is CC(C)c1cc(F)cc(CC(O)C(C)C)c1.
What is the InChIKey of 1-(3-fluoro-5-propan-2-ylphenyl)-3-methylbutan-2-ol?
The InChIKey is BIDYMYBVKATQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO/c1-9(2)12-5-11(6-13(15)8-12)7-14(16)10(3)4/h5-6,8-10,14,16H,7H2,1-4H3.
What are the key properties of 1-(3-fluoro-5-propan-2-ylphenyl)-3-methylbutan-2-ol?
1-(3-fluoro-5-propan-2-ylphenyl)-3-methylbutan-2-ol has a molecular weight of 224.32 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-propan-2-ylphenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 130224243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).