4-imidazol-1-yl-2-phenyl-3,4-dihydro-2H-chromen-7-ol

C18H16N2O2 — CID 11779089

IUPAC4-imidazol-1-yl-2-phenyl-3,4-dihydro-2H-chromen-7-ol
SMILESOc1ccc2c(c1)OC(c1ccccc1)CC2n1ccnc1
InChIInChI=1S/C18H16N2O2/c21-14-6-7-15-16(20-9-8-19-12-20)11-17(22-18(15)10-14)13-4-2-1-3-5-13/h1-10,12,16-17,21H,11H2
InChIKeyZVMPYRSCCMHXRC-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.70
Rot. Bonds2

About 4-imidazol-1-yl-2-phenyl-3,4-dihydro-2H-chromen-7-ol

4-imidazol-1-yl-2-phenyl-3,4-dihydro-2H-chromen-7-ol (PubChem CID 11779089) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-imidazol-1-yl-2-phenyl-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name4-imidazol-1-yl-2-phenyl-3,4-dihydro-2H-chromen-7-ol
PubChem CID11779089
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name4-imidazol-1-yl-2-phenyl-3,4-dihydro-2H-chromen-7-ol
SMILESOc1ccc2c(c1)OC(c1ccccc1)CC2n1ccnc1
InChIInChI=1S/C18H16N2O2/c21-14-6-7-15-16(20-9-8-19-12-20)11-17(22-18(15)10-14)13-4-2-1-3-5-13/h1-10,12,16-17,21H,11H2
InChIKeyZVMPYRSCCMHXRC-UHFFFAOYSA-N
XLogP3.70
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-2-phenyl-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 4-imidazol-1-yl-2-phenyl-3,4-dihydro-2H-chromen-7-ol (CID 11779089) is 4-imidazol-1-yl-2-phenyl-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 4-imidazol-1-yl-2-phenyl-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 4-imidazol-1-yl-2-phenyl-3,4-dihydro-2H-chromen-7-ol is Oc1ccc2c(c1)OC(c1ccccc1)CC2n1ccnc1.
What is the InChIKey of 4-imidazol-1-yl-2-phenyl-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is ZVMPYRSCCMHXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-14-6-7-15-16(20-9-8-19-12-20)11-17(22-18(15)10-14)13-4-2-1-3-5-13/h1-10,12,16-17,21H,11H2.
What are the key properties of 4-imidazol-1-yl-2-phenyl-3,4-dihydro-2H-chromen-7-ol?
4-imidazol-1-yl-2-phenyl-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 292.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-2-phenyl-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 11779089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).