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

C15H19BrO — CID 114747092

IUPAC8-(3-bromo-2-methylcyclopentyl)-3,4-dihydro-2H-chromene
SMILESCC1C(Br)CCC1c1cccc2c1OCCC2
InChIInChI=1S/C15H19BrO/c1-10-12(7-8-14(10)16)13-6-2-4-11-5-3-9-17-15(11)13/h2,4,6,10,12,14H,3,5,7-9H2,1H3
InChIKeyDNRXBUGWKKMARE-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.29
Rot. Bonds1

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

8-(3-bromo-2-methylcyclopentyl)-3,4-dihydro-2H-chromene (PubChem CID 114747092) has the molecular formula C15H19BrO and a molecular weight of 295.22 g/mol. Its IUPAC name is 8-(3-bromo-2-methylcyclopentyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name8-(3-bromo-2-methylcyclopentyl)-3,4-dihydro-2H-chromene
PubChem CID114747092
Molecular FormulaC15H19BrO
Molecular Weight295.22 g/mol
Exact Mass294.06
IUPAC Name8-(3-bromo-2-methylcyclopentyl)-3,4-dihydro-2H-chromene
SMILESCC1C(Br)CCC1c1cccc2c1OCCC2
InChIInChI=1S/C15H19BrO/c1-10-12(7-8-14(10)16)13-6-2-4-11-5-3-9-17-15(11)13/h2,4,6,10,12,14H,3,5,7-9H2,1H3
InChIKeyDNRXBUGWKKMARE-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.29
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

7-(2-bromocycloheptyl)-2,3-dihydro-1-benzofuran
CID 114746748
3-(2,3-dihydro-1-benzofuran-7-yl)-N,2-dimethylcyclopentan-1-amine
CID 114746981
2-(3,4-dihydro-2H-chromen-8-yl)-4-ethylcyclohexan-1-amine
CID 114747529
4-(3,4-dihydro-2H-chromen-8-yl)-1,2,3,4-tetrahydroisoquinoline
CID 106781460
3,4-dihydro-2H-chromene-8-thiol
CID 123990330
3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol
CID 115837861
3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanamine
CID 105049301
3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 105049243
tris(3,4-dihydro-2H-chromen-8-yl)phosphane
CID 87299813
cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745566
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964
7-[2-(2-methylpropyl)cyclopropyl]-2,3-dihydro-1-benzofuran
CID 177208812

Frequently Asked Questions

What is the IUPAC name of 8-(3-bromo-2-methylcyclopentyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 8-(3-bromo-2-methylcyclopentyl)-3,4-dihydro-2H-chromene (CID 114747092) is 8-(3-bromo-2-methylcyclopentyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 8-(3-bromo-2-methylcyclopentyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 8-(3-bromo-2-methylcyclopentyl)-3,4-dihydro-2H-chromene is CC1C(Br)CCC1c1cccc2c1OCCC2.
What is the InChIKey of 8-(3-bromo-2-methylcyclopentyl)-3,4-dihydro-2H-chromene?
The InChIKey is DNRXBUGWKKMARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO/c1-10-12(7-8-14(10)16)13-6-2-4-11-5-3-9-17-15(11)13/h2,4,6,10,12,14H,3,5,7-9H2,1H3.
What are the key properties of 8-(3-bromo-2-methylcyclopentyl)-3,4-dihydro-2H-chromene?
8-(3-bromo-2-methylcyclopentyl)-3,4-dihydro-2H-chromene has a molecular weight of 295.22 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromo-2-methylcyclopentyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 114747092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).