6-bromo-4-chloro-5-methyl-3,4-dihydro-2H-chromene

C10H10BrClO — CID 130951420

IUPAC6-bromo-4-chloro-5-methyl-3,4-dihydro-2H-chromene
SMILESCc1c(Br)ccc2c1C(Cl)CCO2
InChIInChI=1S/C10H10BrClO/c1-6-7(11)2-3-9-10(6)8(12)4-5-13-9/h2-3,8H,4-5H2,1H3
InChIKeyZPFBGJCZEINQKG-UHFFFAOYSA-N
MW261.55 g/mol
LogP3.82
Rot. Bonds

About 6-bromo-4-chloro-5-methyl-3,4-dihydro-2H-chromene

6-bromo-4-chloro-5-methyl-3,4-dihydro-2H-chromene (PubChem CID 130951420) has the molecular formula C10H10BrClO and a molecular weight of 261.55 g/mol. Its IUPAC name is 6-bromo-4-chloro-5-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-bromo-4-chloro-5-methyl-3,4-dihydro-2H-chromene
PubChem CID130951420
Molecular FormulaC10H10BrClO
Molecular Weight261.55 g/mol
Exact Mass259.96
IUPAC Name6-bromo-4-chloro-5-methyl-3,4-dihydro-2H-chromene
SMILESCc1c(Br)ccc2c1C(Cl)CCO2
InChIInChI=1S/C10H10BrClO/c1-6-7(11)2-3-9-10(6)8(12)4-5-13-9/h2-3,8H,4-5H2,1H3
InChIKeyZPFBGJCZEINQKG-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4,6-dichloro-3,4-dihydro-2H-chromene
CID 130848796
5-bromo-4-chloro-7-fluoro-3,4-dihydro-2H-chromene
CID 130935590
6-chloro-5-methyl-3,4-dihydro-2H-chromene-4-thiol
CID 130792885
4-hydroxy-5-methyl-3,4-dihydro-2H-chromene-6-carboxylic acid
CID 170900351
(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol
CID 107287207
6-bromo-5-methyl-3-phenyl-2,4-dihydro-1,3-benzoxazine-4-carbaldehyde
CID 174635629
(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 103693936
5-bromo-4-chloro-2,3-dihydro-1-benzofuran
CID 82374686
(5-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 105422199
(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid
CID 18448605
7-bromo-6-methoxy-2,3-dihydrobenzo[g][1,4]benzodioxine
CID 82275066
(4R)-5,8-dibromo-3,4-dihydro-2H-chromen-4-amine
CID 130667179

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-5-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of 6-bromo-4-chloro-5-methyl-3,4-dihydro-2H-chromene (CID 130951420) is 6-bromo-4-chloro-5-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-bromo-4-chloro-5-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-bromo-4-chloro-5-methyl-3,4-dihydro-2H-chromene is Cc1c(Br)ccc2c1C(Cl)CCO2.
What is the InChIKey of 6-bromo-4-chloro-5-methyl-3,4-dihydro-2H-chromene?
The InChIKey is ZPFBGJCZEINQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO/c1-6-7(11)2-3-9-10(6)8(12)4-5-13-9/h2-3,8H,4-5H2,1H3.
What are the key properties of 6-bromo-4-chloro-5-methyl-3,4-dihydro-2H-chromene?
6-bromo-4-chloro-5-methyl-3,4-dihydro-2H-chromene has a molecular weight of 261.55 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-5-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 130951420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).