6-tert-butyl-7-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one

C16H18N2O3 — CID 12953635

IUPAC6-tert-butyl-7-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one
SMILESCC(C)(C)c1cc2c(cc1O)OCC(n1ccnc1)C2=O
InChIInChI=1S/C16H18N2O3/c1-16(2,3)11-6-10-14(7-13(11)19)21-8-12(15(10)20)18-5-4-17-9-18/h4-7,9,12,19H,8H2,1-3H3
InChIKeyHVOQEIJQLZWQQU-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.70
Rot. Bonds1

About 6-tert-butyl-7-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one

6-tert-butyl-7-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one (PubChem CID 12953635) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-tert-butyl-7-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-tert-butyl-7-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one
PubChem CID12953635
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-tert-butyl-7-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one
SMILESCC(C)(C)c1cc2c(cc1O)OCC(n1ccnc1)C2=O
InChIInChI=1S/C16H18N2O3/c1-16(2,3)11-6-10-14(7-13(11)19)21-8-12(15(10)20)18-5-4-17-9-18/h4-7,9,12,19H,8H2,1-3H3
InChIKeyHVOQEIJQLZWQQU-UHFFFAOYSA-N
XLogP2.70
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Imidazol-1-ylmethyl)-6-pent-2-ynoxyxanthen-9-one
CID 156010928
1-(Imidazol-1-ylmethyl)-3-pent-2-ynoxyxanthen-9-one
CID 156013550
3-Imidazol-1-ylmethyl-7-methoxy-2-phenyl-chromen-4-one
CID 10711620
3-Cyclopentyloxy-6-(imidazol-1-ylmethyl)xanthen-9-one
CID 145973507
3-(Cyclopropylmethoxy)-6-(imidazol-1-ylmethyl)xanthen-9-one
CID 145976039
3-(Imidazol-1-ylmethyl)-6-methoxyxanthen-9-one
CID 145976345
3-(Imidazol-1-ylmethyl)-6-propan-2-yloxyxanthen-9-one
CID 145978611
2-(Imidazol-1-ylmethyl)-7-methoxychromen-4-one
CID 127027569
3-Imidazol-1-yl-7-methoxy-2,3-dihydrochromen-4-one
CID 12953633
2,3-dihydro-3-(1H-imidazol-1-yl)-4H-1-benzopyran-4-one
CID 12953637
3-Imidazol-1-yl-6-methyl-2,3-dihydrochromen-4-one
CID 12953640
3-(1-imidazolyl)-2,3-dihydro-6-hydroxy-4H-1-benzopyran-4-one
CID 12953647

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-7-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-tert-butyl-7-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one (CID 12953635) is 6-tert-butyl-7-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-tert-butyl-7-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-tert-butyl-7-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one is CC(C)(C)c1cc2c(cc1O)OCC(n1ccnc1)C2=O.
What is the InChIKey of 6-tert-butyl-7-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one?
The InChIKey is HVOQEIJQLZWQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(2,3)11-6-10-14(7-13(11)19)21-8-12(15(10)20)18-5-4-17-9-18/h4-7,9,12,19H,8H2,1-3H3.
What are the key properties of 6-tert-butyl-7-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one?
6-tert-butyl-7-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one has a molecular weight of 286.33 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-7-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 12953635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).