3-fluoro-4-(3-methylbutyl)phenol

C11H15FO — CID 59755829

IUPAC3-fluoro-4-(3-methylbutyl)phenol
SMILESCC(C)CCc1ccc(O)cc1F
InChIInChI=1S/C11H15FO/c1-8(2)3-4-9-5-6-10(13)7-11(9)12/h5-8,13H,3-4H2,1-2H3
InChIKeyADSDGVKKZBDVGO-UHFFFAOYSA-N
MW182.24 g/mol
LogP3.12
Rot. Bonds3

About 3-fluoro-4-(3-methylbutyl)phenol

3-fluoro-4-(3-methylbutyl)phenol (PubChem CID 59755829) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 3-fluoro-4-(3-methylbutyl)phenol.

Molecular Properties

Compound Name3-fluoro-4-(3-methylbutyl)phenol
PubChem CID59755829
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name3-fluoro-4-(3-methylbutyl)phenol
SMILESCC(C)CCc1ccc(O)cc1F
InChIInChI=1S/C11H15FO/c1-8(2)3-4-9-5-6-10(13)7-11(9)12/h5-8,13H,3-4H2,1-2H3
InChIKeyADSDGVKKZBDVGO-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-hydroxyphenyl)-4-(3-methylbutyl)phenol
CID 19887669
3-fluoro-4-[2-[4-(4-fluorophenyl)butan-2-ylamino]ethyl]phenol
CID 57026283
4-(3-hydroxybutyl)benzene-1,3-diol
CID 71768563
4-(13-methyltetradecyl)benzene-1,3-diol
CID 10268006
4-(chloromethyl)-3-fluorophenol
CID 54246792
4-(2-fluoro-4-hydroxyphenyl)butanoic acid
CID 83699430
4-(aminooxymethyl)-3-fluorophenol
CID 117276067
CID 172851102
CID 172851102
4-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 81009481
5-fluoro-2-(3-methylbutyl)aniline
CID 105439652
4-(ethylsulfonylmethyl)-3-fluorophenol
CID 117219422
4-[(8Z)-8,9-difluoro-10-methoxy-3,6-dimethyl-7-methylideneundeca-8,10-dienyl]-3-fluorophenol;prop-1-ene
CID 143875248

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-methylbutyl)phenol?
The IUPAC name of 3-fluoro-4-(3-methylbutyl)phenol (CID 59755829) is 3-fluoro-4-(3-methylbutyl)phenol.
What is the SMILES notation for 3-fluoro-4-(3-methylbutyl)phenol?
The canonical SMILES for 3-fluoro-4-(3-methylbutyl)phenol is CC(C)CCc1ccc(O)cc1F.
What is the InChIKey of 3-fluoro-4-(3-methylbutyl)phenol?
The InChIKey is ADSDGVKKZBDVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-8(2)3-4-9-5-6-10(13)7-11(9)12/h5-8,13H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-4-(3-methylbutyl)phenol?
3-fluoro-4-(3-methylbutyl)phenol has a molecular weight of 182.24 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-methylbutyl)phenol is sourced from PubChem (CID 59755829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).