1-(5-fluoro-2-hydroxyphenyl)ethanone;4-fluoro-2-(5-methyl-1H-pyrazol-3-yl)phenol;4-(4-hydroxyphenyl)butan-2-one;1-(2-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;bis(1-(4-methylphenyl)ethanone);bis(1-(4-methylphenyl)propan-2-one);pentan-2-one;1-phenylethanone;1-pyrazin-2-ylethanone;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-3-ylethanone

C113H125F2N7O18 — CID 159685860

IUPAC1-(5-fluoro-2-hydroxyphenyl)ethanone;4-fluoro-2-(5-methyl-1H-pyrazol-3-yl)phenol;4-(4-hydroxyphenyl)butan-2-one;1-(2-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;bis(1-(4-methylphenyl)ethanone);bis(1-(4-methylphenyl)propan-2-one);pentan-2-one;1-phenylethanone;1-pyrazin-2-ylethanone;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-3-ylethanone
SMILESCC(=O)CCc1ccc(O)cc1.CC(=O)Cc1ccc(C)cc1.CC(=O)Cc1ccc(C)cc1.CC(=O)c1cc(F)ccc1O.CC(=O)c1ccc(C)cc1.CC(=O)c1ccc(C)cc1.CC(=O)c1ccc(O)cc1.CC(=O)c1ccccc1.CC(=O)c1ccccc1O.CC(=O)c1cccnc1.CC(=O)c1ccn[nH]1.CC(=O)c1cnccn1.CCCC(C)=O.Cc1cc(-c2cc(F)ccc2O)n[nH]1
InChIInChI=1S/C10H9FN2O.C10H12O2.2C10H12O.2C9H10O.C8H7FO2.2C8H8O2.C8H8O.C7H7NO.C6H6N2O.C5H6N2O.C5H10O/c1-6-4-9(13-12-6)8-5-7(11)2-3-10(8)14;1-8(11)2-3-9-4-6-10(12)7-5-9;2*1-8-3-5-10(6-4-8)7-9(2)11;2*1-7-3-5-9(6-4-7)8(2)10;1-5(10)7-4-6(9)2-3-8(7)11;1-6(9)7-2-4-8(10)5-3-7;1-6(9)7-4-2-3-5-8(7)10;1-7(9)8-5-3-2-4-6-8;1-6(9)7-3-2-4-8-5-7;1-5(9)6-4-7-2-3-8-6;1-4(8)5-2-3-6-7-5;1-3-4-5(2)6/h2-5,14H,1H3,(H,12,13);4-7,12H,2-3H2,1H3;2*3-6H,7H2,1-2H3;2*3-6H,1-2H3;2-4,11H,1H3;2*2-5,10H,1H3;2-6H,1H3;2-5H,1H3;2-4H,1H3;2-3H,1H3,(H,6,7);3-4H2,1-2H3
InChIKeyMVUAFKJUSSNRQU-UHFFFAOYSA-N
MW1907.27 g/mol
LogP23.56
Rot. Bonds19

About 1-(5-fluoro-2-hydroxyphenyl)ethanone;4-fluoro-2-(5-methyl-1H-pyrazol-3-yl)phenol;4-(4-hydroxyphenyl)butan-2-one;1-(2-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;bis(1-(4-methylphenyl)ethanone);bis(1-(4-methylphenyl)propan-2-one);pentan-2-one;1-phenylethanone;1-pyrazin-2-ylethanone;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-3-ylethanone

1-(5-fluoro-2-hydroxyphenyl)ethanone;4-fluoro-2-(5-methyl-1H-pyrazol-3-yl)phenol;4-(4-hydroxyphenyl)butan-2-one;1-(2-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;bis(1-(4-methylphenyl)ethanone);bis(1-(4-methylphenyl)propan-2-one);pentan-2-one;1-phenylethanone;1-pyrazin-2-ylethanone;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-3-ylethanone (PubChem CID 159685860) has the molecular formula C113H125F2N7O18 and a molecular weight of 1907.27 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxyphenyl)ethanone;4-fluoro-2-(5-methyl-1H-pyrazol-3-yl)phenol;4-(4-hydroxyphenyl)butan-2-one;1-(2-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;bis(1-(4-methylphenyl)ethanone);bis(1-(4-methylphenyl)propan-2-one);pentan-2-one;1-phenylethanone;1-pyrazin-2-ylethanone;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxyphenyl)ethanone;4-fluoro-2-(5-methyl-1H-pyrazol-3-yl)phenol;4-(4-hydroxyphenyl)butan-2-one;1-(2-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;bis(1-(4-methylphenyl)ethanone);bis(1-(4-methylphenyl)propan-2-one);pentan-2-one;1-phenylethanone;1-pyrazin-2-ylethanone;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-3-ylethanone
PubChem CID159685860
Molecular FormulaC113H125F2N7O18
Molecular Weight1907.27 g/mol
Exact Mass1905.90
IUPAC Name1-(5-fluoro-2-hydroxyphenyl)ethanone;4-fluoro-2-(5-methyl-1H-pyrazol-3-yl)phenol;4-(4-hydroxyphenyl)butan-2-one;1-(2-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;bis(1-(4-methylphenyl)ethanone);bis(1-(4-methylphenyl)propan-2-one);pentan-2-one;1-phenylethanone;1-pyrazin-2-ylethanone;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-3-ylethanone
SMILESCC(=O)CCc1ccc(O)cc1.CC(=O)Cc1ccc(C)cc1.CC(=O)Cc1ccc(C)cc1.CC(=O)c1cc(F)ccc1O.CC(=O)c1ccc(C)cc1.CC(=O)c1ccc(C)cc1.CC(=O)c1ccc(O)cc1.CC(=O)c1ccccc1.CC(=O)c1ccccc1O.CC(=O)c1cccnc1.CC(=O)c1ccn[nH]1.CC(=O)c1cnccn1.CCCC(C)=O.Cc1cc(-c2cc(F)ccc2O)n[nH]1
InChIInChI=1S/C10H9FN2O.C10H12O2.2C10H12O.2C9H10O.C8H7FO2.2C8H8O2.C8H8O.C7H7NO.C6H6N2O.C5H6N2O.C5H10O/c1-6-4-9(13-12-6)8-5-7(11)2-3-10(8)14;1-8(11)2-3-9-4-6-10(12)7-5-9;2*1-8-3-5-10(6-4-8)7-9(2)11;2*1-7-3-5-9(6-4-7)8(2)10;1-5(10)7-4-6(9)2-3-8(7)11;1-6(9)7-2-4-8(10)5-3-7;1-6(9)7-4-2-3-5-8(7)10;1-7(9)8-5-3-2-4-6-8;1-6(9)7-3-2-4-8-5-7;1-5(9)6-4-7-2-3-8-6;1-4(8)5-2-3-6-7-5;1-3-4-5(2)6/h2-5,14H,1H3,(H,12,13);4-7,12H,2-3H2,1H3;2*3-6H,7H2,1-2H3;2*3-6H,1-2H3;2-4,11H,1H3;2*2-5,10H,1H3;2-6H,1H3;2-5H,1H3;2-4H,1H3;2-3H,1H3,(H,6,7);3-4H2,1-2H3
InChIKeyMVUAFKJUSSNRQU-UHFFFAOYSA-N
XLogP23.56
TPSA419.09 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001907.27
LogP ≤ 523.56
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze 1-(5-fluoro-2-hydroxyphenyl)ethanone;4-fluoro-2-(5-methyl-1H-pyrazol-3-yl)phenol;4-(4-hydroxyphenyl)butan-2-one;1-(2-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;bis(1-(4-methylphenyl)ethanone);bis(1-(4-methylphenyl)propan-2-one);pentan-2-one;1-phenylethanone;1-pyrazin-2-ylethanone;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-3-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)ethanone;4-fluoro-2-(5-methyl-1H-pyrazol-3-yl)phenol;4-(4-hydroxyphenyl)butan-2-one;1-(2-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;bis(1-(4-methylphenyl)ethanone);bis(1-(4-methylphenyl)propan-2-one);pentan-2-one;1-phenylethanone;1-pyrazin-2-ylethanone;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-3-ylethanone?
The IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)ethanone;4-fluoro-2-(5-methyl-1H-pyrazol-3-yl)phenol;4-(4-hydroxyphenyl)butan-2-one;1-(2-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;bis(1-(4-methylphenyl)ethanone);bis(1-(4-methylphenyl)propan-2-one);pentan-2-one;1-phenylethanone;1-pyrazin-2-ylethanone;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-3-ylethanone (CID 159685860) is 1-(5-fluoro-2-hydroxyphenyl)ethanone;4-fluoro-2-(5-methyl-1H-pyrazol-3-yl)phenol;4-(4-hydroxyphenyl)butan-2-one;1-(2-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;bis(1-(4-methylphenyl)ethanone);bis(1-(4-methylphenyl)propan-2-one);pentan-2-one;1-phenylethanone;1-pyrazin-2-ylethanone;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-3-ylethanone.
What is the SMILES notation for 1-(5-fluoro-2-hydroxyphenyl)ethanone;4-fluoro-2-(5-methyl-1H-pyrazol-3-yl)phenol;4-(4-hydroxyphenyl)butan-2-one;1-(2-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;bis(1-(4-methylphenyl)ethanone);bis(1-(4-methylphenyl)propan-2-one);pentan-2-one;1-phenylethanone;1-pyrazin-2-ylethanone;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-3-ylethanone?
The canonical SMILES for 1-(5-fluoro-2-hydroxyphenyl)ethanone;4-fluoro-2-(5-methyl-1H-pyrazol-3-yl)phenol;4-(4-hydroxyphenyl)butan-2-one;1-(2-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;bis(1-(4-methylphenyl)ethanone);bis(1-(4-methylphenyl)propan-2-one);pentan-2-one;1-phenylethanone;1-pyrazin-2-ylethanone;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-3-ylethanone is CC(=O)CCc1ccc(O)cc1.CC(=O)Cc1ccc(C)cc1.CC(=O)Cc1ccc(C)cc1.CC(=O)c1cc(F)ccc1O.CC(=O)c1ccc(C)cc1.CC(=O)c1ccc(C)cc1.CC(=O)c1ccc(O)cc1.CC(=O)c1ccccc1.CC(=O)c1ccccc1O.CC(=O)c1cccnc1.CC(=O)c1ccn[nH]1.CC(=O)c1cnccn1.CCCC(C)=O.Cc1cc(-c2cc(F)ccc2O)n[nH]1.
What is the InChIKey of 1-(5-fluoro-2-hydroxyphenyl)ethanone;4-fluoro-2-(5-methyl-1H-pyrazol-3-yl)phenol;4-(4-hydroxyphenyl)butan-2-one;1-(2-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;bis(1-(4-methylphenyl)ethanone);bis(1-(4-methylphenyl)propan-2-one);pentan-2-one;1-phenylethanone;1-pyrazin-2-ylethanone;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-3-ylethanone?
The InChIKey is MVUAFKJUSSNRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O.C10H12O2.2C10H12O.2C9H10O.C8H7FO2.2C8H8O2.C8H8O.C7H7NO.C6H6N2O.C5H6N2O.C5H10O/c1-6-4-9(13-12-6)8-5-7(11)2-3-10(8)14;1-8(11)2-3-9-4-6-10(12)7-5-9;2*1-8-3-5-10(6-4-8)7-9(2)11;2*1-7-3-5-9(6-4-7)8(2)10;1-5(10)7-4-6(9)2-3-8(7)11;1-6(9)7-2-4-8(10)5-3-7;1-6(9)7-4-2-3-5-8(7)10;1-7(9)8-5-3-2-4-6-8;1-6(9)7-3-2-4-8-5-7;1-5(9)6-4-7-2-3-8-6;1-4(8)5-2-3-6-7-5;1-3-4-5(2)6/h2-5,14H,1H3,(H,12,13);4-7,12H,2-3H2,1H3;2*3-6H,7H2,1-2H3;2*3-6H,1-2H3;2-4,11H,1H3;2*2-5,10H,1H3;2-6H,1H3;2-5H,1H3;2-4H,1H3;2-3H,1H3,(H,6,7);3-4H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-hydroxyphenyl)ethanone;4-fluoro-2-(5-methyl-1H-pyrazol-3-yl)phenol;4-(4-hydroxyphenyl)butan-2-one;1-(2-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;bis(1-(4-methylphenyl)ethanone);bis(1-(4-methylphenyl)propan-2-one);pentan-2-one;1-phenylethanone;1-pyrazin-2-ylethanone;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-3-ylethanone?
1-(5-fluoro-2-hydroxyphenyl)ethanone;4-fluoro-2-(5-methyl-1H-pyrazol-3-yl)phenol;4-(4-hydroxyphenyl)butan-2-one;1-(2-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;bis(1-(4-methylphenyl)ethanone);bis(1-(4-methylphenyl)propan-2-one);pentan-2-one;1-phenylethanone;1-pyrazin-2-ylethanone;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-3-ylethanone has a molecular weight of 1907.27 g/mol, XLogP of 23.56, 19 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxyphenyl)ethanone;4-fluoro-2-(5-methyl-1H-pyrazol-3-yl)phenol;4-(4-hydroxyphenyl)butan-2-one;1-(2-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone;bis(1-(4-methylphenyl)ethanone);bis(1-(4-methylphenyl)propan-2-one);pentan-2-one;1-phenylethanone;1-pyrazin-2-ylethanone;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-3-ylethanone is sourced from PubChem (CID 159685860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).