(3R,4R)-3-bromo-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-4-ol

C10H9BrF2O3 — CID 177204858

IUPAC(3R,4R)-3-bromo-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1c2ccc(OC(F)F)cc2OC[C@H]1Br
InChIInChI=1S/C10H9BrF2O3/c11-7-4-15-8-3-5(16-10(12)13)1-2-6(8)9(7)14/h1-3,7,9-10,14H,4H2/t7-,9-/m1/s1
InChIKeyZEAOVKZWFUJFHR-VXNVDRBHSA-N
MW295.08 g/mol
LogP2.48
Rot. Bonds2

About (3R,4R)-3-bromo-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-4-ol

(3R,4R)-3-bromo-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 177204858) has the molecular formula C10H9BrF2O3 and a molecular weight of 295.08 g/mol. Its IUPAC name is (3R,4R)-3-bromo-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-bromo-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-4-ol
PubChem CID177204858
Molecular FormulaC10H9BrF2O3
Molecular Weight295.08 g/mol
Exact Mass293.97
IUPAC Name(3R,4R)-3-bromo-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1c2ccc(OC(F)F)cc2OC[C@H]1Br
InChIInChI=1S/C10H9BrF2O3/c11-7-4-15-8-3-5(16-10(12)13)1-2-6(8)9(7)14/h1-3,7,9-10,14H,4H2/t7-,9-/m1/s1
InChIKeyZEAOVKZWFUJFHR-VXNVDRBHSA-N
XLogP2.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (3R,4R)-3-bromo-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63097077
(3R)-3-bromo-7-(difluoromethoxy)-2,3-dihydrochromen-4-one
CID 177204677
(3S,4S)-7-(difluoromethoxy)-4-methyl-3-(2-methylpropoxy)-3,4-dihydro-2H-chromene
CID 177207308
(2R,4aS,10bS)-8-(difluoromethoxy)-2-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b][1,4]oxazine
CID 177205533
6-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096962
6-(3,3,3-trifluoro-2-hydroxypropoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 63901709
6-(3-fluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 81113494
6-methoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096800
6-(difluoromethoxy)-2,3-dihydro-1-benzofuran
CID 177206683
6-ethoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096598
2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide
CID 63097258
6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 63096773

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-bromo-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (3R,4R)-3-bromo-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-4-ol (CID 177204858) is (3R,4R)-3-bromo-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (3R,4R)-3-bromo-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (3R,4R)-3-bromo-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-4-ol is O[C@@H]1c2ccc(OC(F)F)cc2OC[C@H]1Br.
What is the InChIKey of (3R,4R)-3-bromo-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ZEAOVKZWFUJFHR-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H9BrF2O3/c11-7-4-15-8-3-5(16-10(12)13)1-2-6(8)9(7)14/h1-3,7,9-10,14H,4H2/t7-,9-/m1/s1.
What are the key properties of (3R,4R)-3-bromo-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-4-ol?
(3R,4R)-3-bromo-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 295.08 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-bromo-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 177204858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).