methyl 4-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-7-carboxylate

C12H11BrO3 — CID 146565565

IUPACmethyl 4-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-7-carboxylate
SMILESCOC(=O)c1ccc(Br)c2c1C1CC1CO2
InChIInChI=1S/C12H11BrO3/c1-15-12(14)7-2-3-9(13)11-10(7)8-4-6(8)5-16-11/h2-3,6,8H,4-5H2,1H3
InChIKeyHWXWZKVCAZGBGL-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.73
Rot. Bonds1

About methyl 4-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-7-carboxylate

methyl 4-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-7-carboxylate (PubChem CID 146565565) has the molecular formula C12H11BrO3 and a molecular weight of 283.12 g/mol. Its IUPAC name is methyl 4-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-7-carboxylate
PubChem CID146565565
Molecular FormulaC12H11BrO3
Molecular Weight283.12 g/mol
Exact Mass281.99
IUPAC Namemethyl 4-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-7-carboxylate
SMILESCOC(=O)c1ccc(Br)c2c1C1CC1CO2
InChIInChI=1S/C12H11BrO3/c1-15-12(14)7-2-3-9(13)11-10(7)8-4-6(8)5-16-11/h2-3,6,8H,4-5H2,1H3
InChIKeyHWXWZKVCAZGBGL-UHFFFAOYSA-N
XLogP2.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-7-carboxylate 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

methyl (1aS,7bS)-5-amino-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate
CID 124582850
methyl (1aR,7bS)-5-amino-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate
CID 86713369
methyl 5-[(2-bromophenyl)sulfonylamino]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate
CID 71006886
methyl 8-bromo-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylate
CID 175626088
methyl 2-bromo-5-methylbenzoate
CID 15110996
methyl 3-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate
CID 67374009
methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate
CID 130722266
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
methyl 4-bromo-2-ethenyl-3-fluorobenzoate
CID 163372057
methyl 2-amino-4-bromo-3-fluorobenzoate
CID 118513566
methyl 7-methoxy-1,3-benzodioxole-4-carboxylate
CID 19967040
methyl 4-bromo-3-fluoro-2-[(1S,2S)-2-fluoro-1-isocyanocyclopropyl]benzoate
CID 170542170

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-7-carboxylate?
The IUPAC name of methyl 4-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-7-carboxylate (CID 146565565) is methyl 4-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-7-carboxylate.
What is the SMILES notation for methyl 4-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-7-carboxylate?
The canonical SMILES for methyl 4-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-7-carboxylate is COC(=O)c1ccc(Br)c2c1C1CC1CO2.
What is the InChIKey of methyl 4-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-7-carboxylate?
The InChIKey is HWXWZKVCAZGBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO3/c1-15-12(14)7-2-3-9(13)11-10(7)8-4-6(8)5-16-11/h2-3,6,8H,4-5H2,1H3.
What are the key properties of methyl 4-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-7-carboxylate?
methyl 4-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-7-carboxylate has a molecular weight of 283.12 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-7-carboxylate is sourced from PubChem (CID 146565565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).