4-(4-imidazol-1-yl-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol

C19H18N2O3 — CID 54580299

IUPAC4-(4-imidazol-1-yl-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol
SMILESCOc1ccc2c(c1)OC(c1ccc(O)cc1)CC2n1ccnc1
InChIInChI=1S/C19H18N2O3/c1-23-15-6-7-16-17(21-9-8-20-12-21)11-18(24-19(16)10-15)13-2-4-14(22)5-3-13/h2-10,12,17-18,22H,11H2,1H3
InChIKeyIXGZSUBGCCMHJQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.71
Rot. Bonds3

About 4-(4-imidazol-1-yl-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol

4-(4-imidazol-1-yl-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol (PubChem CID 54580299) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-(4-imidazol-1-yl-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol.

Molecular Properties

Compound Name4-(4-imidazol-1-yl-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol
PubChem CID54580299
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name4-(4-imidazol-1-yl-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol
SMILESCOc1ccc2c(c1)OC(c1ccc(O)cc1)CC2n1ccnc1
InChIInChI=1S/C19H18N2O3/c1-23-15-6-7-16-17(21-9-8-20-12-21)11-18(24-19(16)10-15)13-2-4-14(22)5-3-13/h2-10,12,17-18,22H,11H2,1H3
InChIKeyIXGZSUBGCCMHJQ-UHFFFAOYSA-N
XLogP3.71
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazol-1-yl-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol?
The IUPAC name of 4-(4-imidazol-1-yl-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol (CID 54580299) is 4-(4-imidazol-1-yl-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol.
What is the SMILES notation for 4-(4-imidazol-1-yl-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol?
The canonical SMILES for 4-(4-imidazol-1-yl-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol is COc1ccc2c(c1)OC(c1ccc(O)cc1)CC2n1ccnc1.
What is the InChIKey of 4-(4-imidazol-1-yl-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol?
The InChIKey is IXGZSUBGCCMHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-23-15-6-7-16-17(21-9-8-20-12-21)11-18(24-19(16)10-15)13-2-4-14(22)5-3-13/h2-10,12,17-18,22H,11H2,1H3.
What are the key properties of 4-(4-imidazol-1-yl-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol?
4-(4-imidazol-1-yl-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol has a molecular weight of 322.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazol-1-yl-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol is sourced from PubChem (CID 54580299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).