2-(4-fluoro-3-methylphenyl)-6-propan-2-ylphenol

C16H17FO — CID 19094777

IUPAC2-(4-fluoro-3-methylphenyl)-6-propan-2-ylphenol
SMILESCc1cc(-c2cccc(C(C)C)c2O)ccc1F
InChIInChI=1S/C16H17FO/c1-10(2)13-5-4-6-14(16(13)18)12-7-8-15(17)11(3)9-12/h4-10,18H,1-3H3
InChIKeyHGULROGBSHIQBW-UHFFFAOYSA-N
MW244.31 g/mol
LogP4.63
Rot. Bonds2

About 2-(4-fluoro-3-methylphenyl)-6-propan-2-ylphenol

2-(4-fluoro-3-methylphenyl)-6-propan-2-ylphenol (PubChem CID 19094777) has the molecular formula C16H17FO and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-6-propan-2-ylphenol
PubChem CID19094777
Molecular FormulaC16H17FO
Molecular Weight244.31 g/mol
Exact Mass244.13
IUPAC Name2-(4-fluoro-3-methylphenyl)-6-propan-2-ylphenol
SMILESCc1cc(-c2cccc(C(C)C)c2O)ccc1F
InChIInChI=1S/C16H17FO/c1-10(2)13-5-4-6-14(16(13)18)12-7-8-15(17)11(3)9-12/h4-10,18H,1-3H3
InChIKeyHGULROGBSHIQBW-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-6-propan-2-ylphenol?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-6-propan-2-ylphenol (CID 19094777) is 2-(4-fluoro-3-methylphenyl)-6-propan-2-ylphenol.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-6-propan-2-ylphenol?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-6-propan-2-ylphenol is Cc1cc(-c2cccc(C(C)C)c2O)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-6-propan-2-ylphenol?
The InChIKey is HGULROGBSHIQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO/c1-10(2)13-5-4-6-14(16(13)18)12-7-8-15(17)11(3)9-12/h4-10,18H,1-3H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)-6-propan-2-ylphenol?
2-(4-fluoro-3-methylphenyl)-6-propan-2-ylphenol has a molecular weight of 244.31 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-6-propan-2-ylphenol is sourced from PubChem (CID 19094777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).