1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol

C13H19FO — CID 107130631

IUPAC1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol
SMILESCc1ccc(C(O)C(C)C(C)C)cc1F
InChIInChI=1S/C13H19FO/c1-8(2)10(4)13(15)11-6-5-9(3)12(14)7-11/h5-8,10,13,15H,1-4H3
InChIKeyVWBAXJGWZNQFNB-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.46
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol

1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol (PubChem CID 107130631) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol
PubChem CID107130631
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol
SMILESCc1ccc(C(O)C(C)C(C)C)cc1F
InChIInChI=1S/C13H19FO/c1-8(2)10(4)13(15)11-6-5-9(3)12(14)7-11/h5-8,10,13,15H,1-4H3
InChIKeyVWBAXJGWZNQFNB-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-4-methylphenyl)-2-phenylpropan-1-ol
CID 107128049
1-(3-fluoro-4-methylphenyl)butane-1,2-diol
CID 107128649
2-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-3-methylbutanoic acid
CID 55245574
2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
CID 145113474
4-(3-fluoro-4-methylphenyl)pentan-2-ol
CID 107129476
1-(3-fluoro-4-methylphenyl)-2-methoxybutan-1-ol
CID 107128607
tert-butyl 3-(3-fluoro-4-methylphenyl)-3-hydroxy-2-methylpropanoate
CID 66337808
1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol
CID 113261628
(3-fluoro-4-methylphenyl)-hydroxymethanesulfonic acid
CID 103574297
2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol
CID 55245369
S-[3-(3-fluoro-4-methylphenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821477
3-amino-2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 65186689

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol (CID 107130631) is 1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol is Cc1ccc(C(O)C(C)C(C)C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol?
The InChIKey is VWBAXJGWZNQFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-8(2)10(4)13(15)11-6-5-9(3)12(14)7-11/h5-8,10,13,15H,1-4H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol?
1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol has a molecular weight of 210.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol is sourced from PubChem (CID 107130631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).