5-bromo-3-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene

C14H19Br — CID 63514254

IUPAC5-bromo-3-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESCCc1ccc2c(c1)C(Br)CC(C)CC2
InChIInChI=1S/C14H19Br/c1-3-11-5-7-12-6-4-10(2)8-14(15)13(12)9-11/h5,7,9-10,14H,3-4,6,8H2,1-2H3
InChIKeyMXUIARMBRDLGMZ-UHFFFAOYSA-N
MW267.21 g/mol
LogP4.66
Rot. Bonds1

About 5-bromo-3-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene

5-bromo-3-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene (PubChem CID 63514254) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is 5-bromo-3-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene.

Molecular Properties

Compound Name5-bromo-3-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
PubChem CID63514254
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name5-bromo-3-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESCCc1ccc2c(c1)C(Br)CC(C)CC2
InChIInChI=1S/C14H19Br/c1-3-11-5-7-12-6-4-10(2)8-14(15)13(12)9-11/h5,7,9-10,14H,3-4,6,8H2,1-2H3
InChIKeyMXUIARMBRDLGMZ-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 5-bromo-3-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The IUPAC name of 5-bromo-3-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene (CID 63514254) is 5-bromo-3-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene.
What is the SMILES notation for 5-bromo-3-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The canonical SMILES for 5-bromo-3-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene is CCc1ccc2c(c1)C(Br)CC(C)CC2.
What is the InChIKey of 5-bromo-3-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The InChIKey is MXUIARMBRDLGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br/c1-3-11-5-7-12-6-4-10(2)8-14(15)13(12)9-11/h5,7,9-10,14H,3-4,6,8H2,1-2H3.
What are the key properties of 5-bromo-3-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
5-bromo-3-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene has a molecular weight of 267.21 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene is sourced from PubChem (CID 63514254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).