3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol

C11H15FO — CID 107129475

IUPAC3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol
SMILESCc1ccc(CC(C)CO)cc1F
InChIInChI=1S/C11H15FO/c1-8(7-13)5-10-4-3-9(2)11(12)6-10/h3-4,6,8,13H,5,7H2,1-2H3
InChIKeyOXIUTJDYTCSFIR-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.31
Rot. Bonds3

About 3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol

3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol (PubChem CID 107129475) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol
PubChem CID107129475
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol
SMILESCc1ccc(CC(C)CO)cc1F
InChIInChI=1S/C11H15FO/c1-8(7-13)5-10-4-3-9(2)11(12)6-10/h3-4,6,8,13H,5,7H2,1-2H3
InChIKeyOXIUTJDYTCSFIR-UHFFFAOYSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-1-ol
CID 138985656
2-bromo-1-(3-fluoro-4-methylphenyl)-4-methylpentan-3-one
CID 62394983
1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine
CID 135225472
(2R)-2-methyl-3-(4-methylphenyl)propan-1-ol
CID 59708463
ethyl 3-(3-fluoro-4-methylphenyl)-2-methylpropanoate
CID 70640795
2-fluoro-4-[1-fluoro-2-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
CID 86172887
3-(3-fluoro-4-methylanilino)-2-methylpropan-1-ol
CID 115871883
(3-fluoro-4-methylphenyl)methyl-trimethylazanium
CID 158068561
(3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol
CID 103854790
4-(3,4-difluorophenyl)-3-methylbutanoic acid
CID 82935908
1-[(3-fluoro-4-methylphenyl)methyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424633
5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 113340247

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol (CID 107129475) is 3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol is Cc1ccc(CC(C)CO)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol?
The InChIKey is OXIUTJDYTCSFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-8(7-13)5-10-4-3-9(2)11(12)6-10/h3-4,6,8,13H,5,7H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol?
3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol has a molecular weight of 182.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 107129475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).