3-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)-1H-imidazol-5-yl]propan-1-one

C18H16N2O3 — CID 158045318

IUPAC3-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)-1H-imidazol-5-yl]propan-1-one
SMILESO=C(CCc1cccc(O)c1)c1cnc(-c2ccc(O)cc2)[nH]1
InChIInChI=1S/C18H16N2O3/c21-14-7-5-13(6-8-14)18-19-11-16(20-18)17(23)9-4-12-2-1-3-15(22)10-12/h1-3,5-8,10-11,21-22H,4,9H2,(H,19,20)
InChIKeyCFAWUCLHEHNUEL-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.30
Rot. Bonds5

About 3-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)-1H-imidazol-5-yl]propan-1-one

3-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)-1H-imidazol-5-yl]propan-1-one (PubChem CID 158045318) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)-1H-imidazol-5-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)-1H-imidazol-5-yl]propan-1-one
PubChem CID158045318
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)-1H-imidazol-5-yl]propan-1-one
SMILESO=C(CCc1cccc(O)c1)c1cnc(-c2ccc(O)cc2)[nH]1
InChIInChI=1S/C18H16N2O3/c21-14-7-5-13(6-8-14)18-19-11-16(20-18)17(23)9-4-12-2-1-3-15(22)10-12/h1-3,5-8,10-11,21-22H,4,9H2,(H,19,20)
InChIKeyCFAWUCLHEHNUEL-UHFFFAOYSA-N
XLogP3.30
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-hydroxyphenyl)-1-(4-phenylphenyl)propan-1-one
CID 58190197
2-(2,4-dihydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-1H-imidazole-5-carboxamide
CID 135487327
3-[5-(4-hydroxyphenyl)-1H-imidazol-2-yl]phenol
CID 25192186
3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid
CID 175603484
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 172870683
2-phenyl-1H-imidazole-5-carboxylic acid;hydrate
CID 2738138
benzyl 2-(6-bromo-3-pyridinyl)-1H-imidazole-5-carboxylate
CID 86698188
3-[2-(2H-triazol-4-yl)ethyl]phenol
CID 112718347
ethane;5-(3-hydroxyphenyl)pentan-2-one
CID 142810997
3-[[5-(4-hydroxyphenyl)-3-pyridinyl]methyl]phenol
CID 91408160
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
2-[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]-1-(1,3-thiazol-4-yl)ethanone
CID 157315843

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)-1H-imidazol-5-yl]propan-1-one?
The IUPAC name of 3-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)-1H-imidazol-5-yl]propan-1-one (CID 158045318) is 3-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)-1H-imidazol-5-yl]propan-1-one.
What is the SMILES notation for 3-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)-1H-imidazol-5-yl]propan-1-one?
The canonical SMILES for 3-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)-1H-imidazol-5-yl]propan-1-one is O=C(CCc1cccc(O)c1)c1cnc(-c2ccc(O)cc2)[nH]1.
What is the InChIKey of 3-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)-1H-imidazol-5-yl]propan-1-one?
The InChIKey is CFAWUCLHEHNUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-14-7-5-13(6-8-14)18-19-11-16(20-18)17(23)9-4-12-2-1-3-15(22)10-12/h1-3,5-8,10-11,21-22H,4,9H2,(H,19,20).
What are the key properties of 3-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)-1H-imidazol-5-yl]propan-1-one?
3-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)-1H-imidazol-5-yl]propan-1-one has a molecular weight of 308.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)-1H-imidazol-5-yl]propan-1-one is sourced from PubChem (CID 158045318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).