4-(3-ethylphenyl)-3-fluorophenol

C14H13FO — CID 83130273

IUPAC4-(3-ethylphenyl)-3-fluorophenol
SMILESCCc1cccc(-c2ccc(O)cc2F)c1
InChIInChI=1S/C14H13FO/c1-2-10-4-3-5-11(8-10)13-7-6-12(16)9-14(13)15/h3-9,16H,2H2,1H3
InChIKeyBGGBHSMHVCBEGX-UHFFFAOYSA-N
MW216.25 g/mol
LogP3.76
Rot. Bonds2

About 4-(3-ethylphenyl)-3-fluorophenol

4-(3-ethylphenyl)-3-fluorophenol (PubChem CID 83130273) has the molecular formula C14H13FO and a molecular weight of 216.25 g/mol. Its IUPAC name is 4-(3-ethylphenyl)-3-fluorophenol.

Molecular Properties

Compound Name4-(3-ethylphenyl)-3-fluorophenol
PubChem CID83130273
Molecular FormulaC14H13FO
Molecular Weight216.25 g/mol
Exact Mass216.10
IUPAC Name4-(3-ethylphenyl)-3-fluorophenol
SMILESCCc1cccc(-c2ccc(O)cc2F)c1
InChIInChI=1S/C14H13FO/c1-2-10-4-3-5-11(8-10)13-7-6-12(16)9-14(13)15/h3-9,16H,2H2,1H3
InChIKeyBGGBHSMHVCBEGX-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-4-(3-fluorophenyl)phenol
CID 46312656
2,3-diethyl-4-(3-ethylphenyl)phenol
CID 101302434
4-(3-chlorophenyl)-3-fluorophenol
CID 53219360
3-ethylphenol;4-ethylphenol
CID 70541430
3-ethyl-6-(3-ethylphenyl)benzene-1,2-diol
CID 101302583
[4-(3-ethylphenyl)-2,3-difluorophenyl]boronic acid
CID 131866445
3-(2,4-difluorophenyl)phenol
CID 11356203
3-(2-fluoro-4-hydroxyphenyl)-N,N-dimethylbenzamide
CID 53219633
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
3-fluoro-4-pyridin-3-ylphenol
CID 46315770
3-fluoro-4-(4-phenylmethoxyphenyl)phenol
CID 53219756
3-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]phenol
CID 90036441

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenyl)-3-fluorophenol?
The IUPAC name of 4-(3-ethylphenyl)-3-fluorophenol (CID 83130273) is 4-(3-ethylphenyl)-3-fluorophenol.
What is the SMILES notation for 4-(3-ethylphenyl)-3-fluorophenol?
The canonical SMILES for 4-(3-ethylphenyl)-3-fluorophenol is CCc1cccc(-c2ccc(O)cc2F)c1.
What is the InChIKey of 4-(3-ethylphenyl)-3-fluorophenol?
The InChIKey is BGGBHSMHVCBEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO/c1-2-10-4-3-5-11(8-10)13-7-6-12(16)9-14(13)15/h3-9,16H,2H2,1H3.
What are the key properties of 4-(3-ethylphenyl)-3-fluorophenol?
4-(3-ethylphenyl)-3-fluorophenol has a molecular weight of 216.25 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenyl)-3-fluorophenol is sourced from PubChem (CID 83130273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).