[4-(1-fluoro-3-methylbutan-2-yl)phenyl]methanol

C12H17FO — CID 115020728

IUPAC[4-(1-fluoro-3-methylbutan-2-yl)phenyl]methanol
SMILESCC(C)C(CF)c1ccc(CO)cc1
InChIInChI=1S/C12H17FO/c1-9(2)12(7-13)11-5-3-10(8-14)4-6-11/h3-6,9,12,14H,7-8H2,1-2H3
InChIKeyVLKGGEZCTDLPPD-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.89
Rot. Bonds4

About [4-(1-fluoro-3-methylbutan-2-yl)phenyl]methanol

[4-(1-fluoro-3-methylbutan-2-yl)phenyl]methanol (PubChem CID 115020728) has the molecular formula C12H17FO and a molecular weight of 196.27 g/mol. Its IUPAC name is [4-(1-fluoro-3-methylbutan-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(1-fluoro-3-methylbutan-2-yl)phenyl]methanol
PubChem CID115020728
Molecular FormulaC12H17FO
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC Name[4-(1-fluoro-3-methylbutan-2-yl)phenyl]methanol
SMILESCC(C)C(CF)c1ccc(CO)cc1
InChIInChI=1S/C12H17FO/c1-9(2)12(7-13)11-5-3-10(8-14)4-6-11/h3-6,9,12,14H,7-8H2,1-2H3
InChIKeyVLKGGEZCTDLPPD-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-[4-(hydroxymethyl)phenyl]-2,2-dimethylpropan-1-ol
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[4-(hydroxymethyl)phenyl]methanediol
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5-[1-[4-(hydroxymethyl)anilino]ethyl]benzene-1,3-diol
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[6-(3-methylbutan-2-yl)naphthalen-2-yl]methanol
CID 153437397
[4-(fluoromethyl)phenyl]methanol
CID 68531830
[4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol
CID 157214226
[4-(4-aminobutan-2-yl)phenyl]methanol
CID 84767971
[4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]methanol
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[4-(3,3,5,5-tetramethylhexan-2-yl)phenyl]methanol
CID 123380059

Frequently Asked Questions

What is the IUPAC name of [4-(1-fluoro-3-methylbutan-2-yl)phenyl]methanol?
The IUPAC name of [4-(1-fluoro-3-methylbutan-2-yl)phenyl]methanol (CID 115020728) is [4-(1-fluoro-3-methylbutan-2-yl)phenyl]methanol.
What is the SMILES notation for [4-(1-fluoro-3-methylbutan-2-yl)phenyl]methanol?
The canonical SMILES for [4-(1-fluoro-3-methylbutan-2-yl)phenyl]methanol is CC(C)C(CF)c1ccc(CO)cc1.
What is the InChIKey of [4-(1-fluoro-3-methylbutan-2-yl)phenyl]methanol?
The InChIKey is VLKGGEZCTDLPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-9(2)12(7-13)11-5-3-10(8-14)4-6-11/h3-6,9,12,14H,7-8H2,1-2H3.
What are the key properties of [4-(1-fluoro-3-methylbutan-2-yl)phenyl]methanol?
[4-(1-fluoro-3-methylbutan-2-yl)phenyl]methanol has a molecular weight of 196.27 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-fluoro-3-methylbutan-2-yl)phenyl]methanol is sourced from PubChem (CID 115020728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).