6-(4-hydroxyphenyl)-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one

C19H16N2O3 — CID 23322010

IUPAC6-(4-hydroxyphenyl)-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one
SMILESCC1Oc2ccc(-c3ccc(O)cc3)cc2C(=O)C1n1ccnc1
InChIInChI=1S/C19H16N2O3/c1-12-18(21-9-8-20-11-21)19(23)16-10-14(4-7-17(16)24-12)13-2-5-15(22)6-3-13/h2-12,18,22H,1H3
InChIKeyQDIIECJIHOIDLU-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.46
Rot. Bonds2

About 6-(4-hydroxyphenyl)-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one

6-(4-hydroxyphenyl)-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one (PubChem CID 23322010) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one
PubChem CID23322010
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name6-(4-hydroxyphenyl)-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one
SMILESCC1Oc2ccc(-c3ccc(O)cc3)cc2C(=O)C1n1ccnc1
InChIInChI=1S/C19H16N2O3/c1-12-18(21-9-8-20-11-21)19(23)16-10-14(4-7-17(16)24-12)13-2-5-15(22)6-3-13/h2-12,18,22H,1H3
InChIKeyQDIIECJIHOIDLU-UHFFFAOYSA-N
XLogP3.46
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-(4-hydroxyphenyl)-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one (CID 23322010) is 6-(4-hydroxyphenyl)-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-(4-hydroxyphenyl)-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-(4-hydroxyphenyl)-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one is CC1Oc2ccc(-c3ccc(O)cc3)cc2C(=O)C1n1ccnc1.
What is the InChIKey of 6-(4-hydroxyphenyl)-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one?
The InChIKey is QDIIECJIHOIDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-12-18(21-9-8-20-11-21)19(23)16-10-14(4-7-17(16)24-12)13-2-5-15(22)6-3-13/h2-12,18,22H,1H3.
What are the key properties of 6-(4-hydroxyphenyl)-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one?
6-(4-hydroxyphenyl)-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one has a molecular weight of 320.35 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 23322010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).