8-(3-bromo-2-methylpropyl)-3,4-dihydro-2H-chromene

C13H17BrO — CID 114747076

IUPAC8-(3-bromo-2-methylpropyl)-3,4-dihydro-2H-chromene
SMILESCC(CBr)Cc1cccc2c1OCCC2
InChIInChI=1S/C13H17BrO/c1-10(9-14)8-12-5-2-4-11-6-3-7-15-13(11)12/h2,4-5,10H,3,6-9H2,1H3
InChIKeyVIUZZFVBFHROIP-UHFFFAOYSA-N
MW269.18 g/mol
LogP3.59
Rot. Bonds3

About 8-(3-bromo-2-methylpropyl)-3,4-dihydro-2H-chromene

8-(3-bromo-2-methylpropyl)-3,4-dihydro-2H-chromene (PubChem CID 114747076) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 8-(3-bromo-2-methylpropyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name8-(3-bromo-2-methylpropyl)-3,4-dihydro-2H-chromene
PubChem CID114747076
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name8-(3-bromo-2-methylpropyl)-3,4-dihydro-2H-chromene
SMILESCC(CBr)Cc1cccc2c1OCCC2
InChIInChI=1S/C13H17BrO/c1-10(9-14)8-12-5-2-4-11-6-3-7-15-13(11)12/h2,4-5,10H,3,6-9H2,1H3
InChIKeyVIUZZFVBFHROIP-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.59
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

8-(2-methylpropyl)-3,4-dihydro-2H-chromene
CID 160635539
1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine
CID 114746879
3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal
CID 114746856
4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine
CID 114746902
1-(3,4-dihydro-2H-chromen-8-yl)hexan-3-one
CID 114746846
3,4-dihydro-2H-chromene-8-thiol
CID 123990330
1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine
CID 114746942
2-(2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanamine
CID 83829835
N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine
CID 114746763
7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran
CID 114747068
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964

Frequently Asked Questions

What is the IUPAC name of 8-(3-bromo-2-methylpropyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 8-(3-bromo-2-methylpropyl)-3,4-dihydro-2H-chromene (CID 114747076) is 8-(3-bromo-2-methylpropyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 8-(3-bromo-2-methylpropyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 8-(3-bromo-2-methylpropyl)-3,4-dihydro-2H-chromene is CC(CBr)Cc1cccc2c1OCCC2.
What is the InChIKey of 8-(3-bromo-2-methylpropyl)-3,4-dihydro-2H-chromene?
The InChIKey is VIUZZFVBFHROIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c1-10(9-14)8-12-5-2-4-11-6-3-7-15-13(11)12/h2,4-5,10H,3,6-9H2,1H3.
What are the key properties of 8-(3-bromo-2-methylpropyl)-3,4-dihydro-2H-chromene?
8-(3-bromo-2-methylpropyl)-3,4-dihydro-2H-chromene has a molecular weight of 269.18 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromo-2-methylpropyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 114747076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).