4-bromo-8-chloro-6-methyl-3,4-dihydro-2H-chromene

C10H10BrClO — CID 130787930

IUPAC4-bromo-8-chloro-6-methyl-3,4-dihydro-2H-chromene
SMILESCc1cc(Cl)c2c(c1)C(Br)CCO2
InChIInChI=1S/C10H10BrClO/c1-6-4-7-8(11)2-3-13-10(7)9(12)5-6/h4-5,8H,2-3H2,1H3
InChIKeyWAVCVARYVTXPDF-UHFFFAOYSA-N
MW261.55 g/mol
LogP3.87
Rot. Bonds

About 4-bromo-8-chloro-6-methyl-3,4-dihydro-2H-chromene

4-bromo-8-chloro-6-methyl-3,4-dihydro-2H-chromene (PubChem CID 130787930) has the molecular formula C10H10BrClO and a molecular weight of 261.55 g/mol. Its IUPAC name is 4-bromo-8-chloro-6-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name4-bromo-8-chloro-6-methyl-3,4-dihydro-2H-chromene
PubChem CID130787930
Molecular FormulaC10H10BrClO
Molecular Weight261.55 g/mol
Exact Mass259.96
IUPAC Name4-bromo-8-chloro-6-methyl-3,4-dihydro-2H-chromene
SMILESCc1cc(Cl)c2c(c1)C(Br)CCO2
InChIInChI=1S/C10H10BrClO/c1-6-4-7-8(11)2-3-13-10(7)9(12)5-6/h4-5,8H,2-3H2,1H3
InChIKeyWAVCVARYVTXPDF-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-8-chloro-6-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of 4-bromo-8-chloro-6-methyl-3,4-dihydro-2H-chromene (CID 130787930) is 4-bromo-8-chloro-6-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 4-bromo-8-chloro-6-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 4-bromo-8-chloro-6-methyl-3,4-dihydro-2H-chromene is Cc1cc(Cl)c2c(c1)C(Br)CCO2.
What is the InChIKey of 4-bromo-8-chloro-6-methyl-3,4-dihydro-2H-chromene?
The InChIKey is WAVCVARYVTXPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO/c1-6-4-7-8(11)2-3-13-10(7)9(12)5-6/h4-5,8H,2-3H2,1H3.
What are the key properties of 4-bromo-8-chloro-6-methyl-3,4-dihydro-2H-chromene?
4-bromo-8-chloro-6-methyl-3,4-dihydro-2H-chromene has a molecular weight of 261.55 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-8-chloro-6-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 130787930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).