2-(4-hydroxyphenyl)-4-imidazol-1-yl-3,4-dihydro-2H-chromen-7-ol

C18H16N2O3 — CID 57340035

IUPAC2-(4-hydroxyphenyl)-4-imidazol-1-yl-3,4-dihydro-2H-chromen-7-ol
SMILESOc1ccc(C2CC(n3ccnc3)c3ccc(O)cc3O2)cc1
InChIInChI=1S/C18H16N2O3/c21-13-3-1-12(2-4-13)17-10-16(20-8-7-19-11-20)15-6-5-14(22)9-18(15)23-17/h1-9,11,16-17,21-22H,10H2
InChIKeyPFHRDEAWLUWODW-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.41
Rot. Bonds2

About 2-(4-hydroxyphenyl)-4-imidazol-1-yl-3,4-dihydro-2H-chromen-7-ol

2-(4-hydroxyphenyl)-4-imidazol-1-yl-3,4-dihydro-2H-chromen-7-ol (PubChem CID 57340035) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-4-imidazol-1-yl-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-4-imidazol-1-yl-3,4-dihydro-2H-chromen-7-ol
PubChem CID57340035
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-(4-hydroxyphenyl)-4-imidazol-1-yl-3,4-dihydro-2H-chromen-7-ol
SMILESOc1ccc(C2CC(n3ccnc3)c3ccc(O)cc3O2)cc1
InChIInChI=1S/C18H16N2O3/c21-13-3-1-12(2-4-13)17-10-16(20-8-7-19-11-20)15-6-5-14(22)9-18(15)23-17/h1-9,11,16-17,21-22H,10H2
InChIKeyPFHRDEAWLUWODW-UHFFFAOYSA-N
XLogP3.41
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7-Methoxy-2-phenyl-chroman-4-yl)-1H-imidazole
CID 10267149
7-Benzyloxy-4-(1H-imidazol-1-ylmethyl)-2H-chromen-2-one
CID 11232831
4-Imidazol-1-yl-2-phenyl-chroman-7-ol
CID 11779089
2,4-Trans-4'-hydroxy-4-imidazolyl-7-methoxyflavan, 3d
CID 54580299
2,4-Trans-4'-cyano-4-imidazolyl-7-methoxyflavan, 3c
CID 54587195
1-[Bis(4-methoxyphenyl)methyl]imidazole
CID 10968400
2-Imidazol-1-yl-1-(4-phenoxyphenyl)ethanol
CID 53606
Phenol, 2-[[[3-(1H-imidazol-1-yl)propyl]imino]phenylmethyl]-5-(octyloxy)-
CID 136622049
2,4-Trans-3'-hydroxy-4-imidazolyl-7-methoxyflavan, 3a
CID 57340033
2,4-Trans-4'-chloro-4-imidazolyl-7-methoxyflavan, 3b
CID 57340034
(1-Benzylimidazol-2-yl)-(4-ethoxyphenyl)methanol
CID 2870346
N-(2,4-dimethoxybenzyl)-5-(4-ethoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 5194443

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-4-imidazol-1-yl-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-4-imidazol-1-yl-3,4-dihydro-2H-chromen-7-ol (CID 57340035) is 2-(4-hydroxyphenyl)-4-imidazol-1-yl-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-4-imidazol-1-yl-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-4-imidazol-1-yl-3,4-dihydro-2H-chromen-7-ol is Oc1ccc(C2CC(n3ccnc3)c3ccc(O)cc3O2)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-4-imidazol-1-yl-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is PFHRDEAWLUWODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-13-3-1-12(2-4-13)17-10-16(20-8-7-19-11-20)15-6-5-14(22)9-18(15)23-17/h1-9,11,16-17,21-22H,10H2.
What are the key properties of 2-(4-hydroxyphenyl)-4-imidazol-1-yl-3,4-dihydro-2H-chromen-7-ol?
2-(4-hydroxyphenyl)-4-imidazol-1-yl-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 308.34 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-4-imidazol-1-yl-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 57340035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).