(2,4-diethyl-3-fluoro-6-hydroxyphenyl)-phenylmethanone

C17H17FO2 — CID 102273470

IUPAC(2,4-diethyl-3-fluoro-6-hydroxyphenyl)-phenylmethanone
SMILESCCc1cc(O)c(C(=O)c2ccccc2)c(CC)c1F
InChIInChI=1S/C17H17FO2/c1-3-11-10-14(19)15(13(4-2)16(11)18)17(20)12-8-6-5-7-9-12/h5-10,19H,3-4H2,1-2H3
InChIKeyHYSWRESSEASDSH-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.89
Rot. Bonds4

About (2,4-diethyl-3-fluoro-6-hydroxyphenyl)-phenylmethanone

(2,4-diethyl-3-fluoro-6-hydroxyphenyl)-phenylmethanone (PubChem CID 102273470) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is (2,4-diethyl-3-fluoro-6-hydroxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2,4-diethyl-3-fluoro-6-hydroxyphenyl)-phenylmethanone
PubChem CID102273470
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name(2,4-diethyl-3-fluoro-6-hydroxyphenyl)-phenylmethanone
SMILESCCc1cc(O)c(C(=O)c2ccccc2)c(CC)c1F
InChIInChI=1S/C17H17FO2/c1-3-11-10-14(19)15(13(4-2)16(11)18)17(20)12-8-6-5-7-9-12/h5-10,19H,3-4H2,1-2H3
InChIKeyHYSWRESSEASDSH-UHFFFAOYSA-N
XLogP3.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-diethyl-3-fluoro-6-hydroxyphenyl)ethanone
CID 102273469
methyl 2-(2-benzoyl-6-ethyl-3,5-dihydroxyphenyl)acetate
CID 11995674
(2-benzoyl-3,4-diethylphenyl)-phenylmethanone
CID 175879744
3,4-diethyl-2,6-dihydroxybenzoic acid
CID 141390426
(5-ethyl-2-hydroxyphenyl)-phenylmethanone
CID 13149653
1-phenyl-2-(2,3,4-triethyl-5-hydroxyphenyl)ethane-1,2-dione
CID 18520311
(2-butyl-3,4,5,6-tetraethylphenyl)-phenylmethanone
CID 15370927
3-benzoyl-2,4,6-trihydroxybenzoic acid
CID 154360327
(2,3-diethylphenyl)-phenylmethanone;phosphenous acid
CID 174596350
benzene;2-ethylphenol
CID 159726745
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
2,5-diethyl-3-phenylbenzene-1,4-diol
CID 101302575

Frequently Asked Questions

What is the IUPAC name of (2,4-diethyl-3-fluoro-6-hydroxyphenyl)-phenylmethanone?
The IUPAC name of (2,4-diethyl-3-fluoro-6-hydroxyphenyl)-phenylmethanone (CID 102273470) is (2,4-diethyl-3-fluoro-6-hydroxyphenyl)-phenylmethanone.
What is the SMILES notation for (2,4-diethyl-3-fluoro-6-hydroxyphenyl)-phenylmethanone?
The canonical SMILES for (2,4-diethyl-3-fluoro-6-hydroxyphenyl)-phenylmethanone is CCc1cc(O)c(C(=O)c2ccccc2)c(CC)c1F.
What is the InChIKey of (2,4-diethyl-3-fluoro-6-hydroxyphenyl)-phenylmethanone?
The InChIKey is HYSWRESSEASDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-3-11-10-14(19)15(13(4-2)16(11)18)17(20)12-8-6-5-7-9-12/h5-10,19H,3-4H2,1-2H3.
What are the key properties of (2,4-diethyl-3-fluoro-6-hydroxyphenyl)-phenylmethanone?
(2,4-diethyl-3-fluoro-6-hydroxyphenyl)-phenylmethanone has a molecular weight of 272.32 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diethyl-3-fluoro-6-hydroxyphenyl)-phenylmethanone is sourced from PubChem (CID 102273470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).