6-chloro-3-imidazol-1-yl-3,4-dihydro-2H-chromen-4-ol

C12H11ClN2O2 — CID 12953648

IUPAC6-chloro-3-imidazol-1-yl-3,4-dihydro-2H-chromen-4-ol
SMILESOC1c2cc(Cl)ccc2OCC1n1ccnc1
InChIInChI=1S/C12H11ClN2O2/c13-8-1-2-11-9(5-8)12(16)10(6-17-11)15-4-3-14-7-15/h1-5,7,10,12,16H,6H2
InChIKeyZDSBZDKEOGSOHL-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.20
Rot. Bonds1

About 6-chloro-3-imidazol-1-yl-3,4-dihydro-2H-chromen-4-ol

6-chloro-3-imidazol-1-yl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 12953648) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 6-chloro-3-imidazol-1-yl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-chloro-3-imidazol-1-yl-3,4-dihydro-2H-chromen-4-ol
PubChem CID12953648
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name6-chloro-3-imidazol-1-yl-3,4-dihydro-2H-chromen-4-ol
SMILESOC1c2cc(Cl)ccc2OCC1n1ccnc1
InChIInChI=1S/C12H11ClN2O2/c13-8-1-2-11-9(5-8)12(16)10(6-17-11)15-4-3-14-7-15/h1-5,7,10,12,16H,6H2
InChIKeyZDSBZDKEOGSOHL-UHFFFAOYSA-N
XLogP2.20
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxyphenyl)(1-methyl-1H-imidazol-2-yl)methanol
CID 2870390
1-[2-(2-allyl-4-chlorophenoxy)ethyl]-1H-imidazole oxalate
CID 2923479
1-[4-Chloro-2-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 15916936
(NZ)-N-[2-(4-chlorophenyl)-3-imidazol-1-yl-2,3-dihydrochromen-4-ylidene]hydroxylamine
CID 137645572
1-[2-(4-Chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride
CID 24761429
1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-1H-imidazole
CID 756647
1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]-1H-imidazole oxalate
CID 762595
1-[4-(4-chloro-2,6-dimethylphenoxy)butyl]-1H-imidazole
CID 2853308
1-[4-Chloro-2-(1-imidazol-1-yl-2-methylprop-1-enyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 15585633
6-Chloro-3-(1H-imidazol-1-yl)chroman-4-one
CID 12953639
3-(1-imidazolyl)-6-chloro-2H-1-benzopyran
CID 13287815
3-Imidazol-1-ylchroman-4-one oxime
CID 19794645

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-imidazol-1-yl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-chloro-3-imidazol-1-yl-3,4-dihydro-2H-chromen-4-ol (CID 12953648) is 6-chloro-3-imidazol-1-yl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-chloro-3-imidazol-1-yl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-chloro-3-imidazol-1-yl-3,4-dihydro-2H-chromen-4-ol is OC1c2cc(Cl)ccc2OCC1n1ccnc1.
What is the InChIKey of 6-chloro-3-imidazol-1-yl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ZDSBZDKEOGSOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-8-1-2-11-9(5-8)12(16)10(6-17-11)15-4-3-14-7-15/h1-5,7,10,12,16H,6H2.
What are the key properties of 6-chloro-3-imidazol-1-yl-3,4-dihydro-2H-chromen-4-ol?
6-chloro-3-imidazol-1-yl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 250.69 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-imidazol-1-yl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 12953648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).