ethane;3-ethyl-2-fluoro-6-phenylphenol

C16H19FO — CID 145394712

IUPACethane;3-ethyl-2-fluoro-6-phenylphenol
SMILESCC.CCc1ccc(-c2ccccc2)c(O)c1F
InChIInChI=1S/C14H13FO.C2H6/c1-2-10-8-9-12(14(16)13(10)15)11-6-4-3-5-7-11;1-2/h3-9,16H,2H2,1H3;1-2H3
InChIKeyHFEAWDUYAKDEBO-UHFFFAOYSA-N
MW246.33 g/mol
LogP4.79
Rot. Bonds2

About ethane;3-ethyl-2-fluoro-6-phenylphenol

ethane;3-ethyl-2-fluoro-6-phenylphenol (PubChem CID 145394712) has the molecular formula C16H19FO and a molecular weight of 246.33 g/mol. Its IUPAC name is ethane;3-ethyl-2-fluoro-6-phenylphenol.

Molecular Properties

Compound Nameethane;3-ethyl-2-fluoro-6-phenylphenol
PubChem CID145394712
Molecular FormulaC16H19FO
Molecular Weight246.33 g/mol
Exact Mass246.14
IUPAC Nameethane;3-ethyl-2-fluoro-6-phenylphenol
SMILESCC.CCc1ccc(-c2ccccc2)c(O)c1F
InChIInChI=1S/C14H13FO.C2H6/c1-2-10-8-9-12(14(16)13(10)15)11-6-4-3-5-7-11;1-2/h3-9,16H,2H2,1H3;1-2H3
InChIKeyHFEAWDUYAKDEBO-UHFFFAOYSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-diethyl-3-phenylphenol
CID 101302345
4-(3-ethyl-2-methyl-6-phenylphenyl)phenol
CID 139603227
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
2-fluoro-6-methyl-3-phenylphenol
CID 66800848
1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene
CID 20727464
2,3,6-triethyl-5-phenylphenol
CID 101302393
(2-fluoro-3-phenyl-6-propylphenyl)boronic acid
CID 174997280
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
1-ethyl-2,4-diphenylbenzene
CID 59359551
3-ethyl-6-(3-ethylphenyl)benzene-1,2-diol
CID 101302583
ethane;2-[3-fluoro-1-[(2-fluoro-3-hydroxy-4-phenylphenyl)methyl]-4-methylpiperidin-4-yl]acetonitrile
CID 145395276
2,3-diethyl-1,4-diphenylbenzene
CID 59383229

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-2-fluoro-6-phenylphenol?
The IUPAC name of ethane;3-ethyl-2-fluoro-6-phenylphenol (CID 145394712) is ethane;3-ethyl-2-fluoro-6-phenylphenol.
What is the SMILES notation for ethane;3-ethyl-2-fluoro-6-phenylphenol?
The canonical SMILES for ethane;3-ethyl-2-fluoro-6-phenylphenol is CC.CCc1ccc(-c2ccccc2)c(O)c1F.
What is the InChIKey of ethane;3-ethyl-2-fluoro-6-phenylphenol?
The InChIKey is HFEAWDUYAKDEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO.C2H6/c1-2-10-8-9-12(14(16)13(10)15)11-6-4-3-5-7-11;1-2/h3-9,16H,2H2,1H3;1-2H3.
What are the key properties of ethane;3-ethyl-2-fluoro-6-phenylphenol?
ethane;3-ethyl-2-fluoro-6-phenylphenol has a molecular weight of 246.33 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-2-fluoro-6-phenylphenol is sourced from PubChem (CID 145394712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).