5-(bromomethyl)-3H-benzo[f]chromene

C14H11BrO — CID 101247815

IUPAC5-(bromomethyl)-3H-benzo[f]chromene
SMILESBrCc1cc2ccccc2c2c1OCC=C2
InChIInChI=1S/C14H11BrO/c15-9-11-8-10-4-1-2-5-12(10)13-6-3-7-16-14(11)13/h1-6,8H,7,9H2
InChIKeySJYQRSIPJHSRNL-UHFFFAOYSA-N
MW275.14 g/mol
LogP4.14
Rot. Bonds1

About 5-(bromomethyl)-3H-benzo[f]chromene

5-(bromomethyl)-3H-benzo[f]chromene (PubChem CID 101247815) has the molecular formula C14H11BrO and a molecular weight of 275.14 g/mol. Its IUPAC name is 5-(bromomethyl)-3H-benzo[f]chromene.

Molecular Properties

Compound Name5-(bromomethyl)-3H-benzo[f]chromene
PubChem CID101247815
Molecular FormulaC14H11BrO
Molecular Weight275.14 g/mol
Exact Mass274.00
IUPAC Name5-(bromomethyl)-3H-benzo[f]chromene
SMILESBrCc1cc2ccccc2c2c1OCC=C2
InChIInChI=1S/C14H11BrO/c15-9-11-8-10-4-1-2-5-12(10)13-6-3-7-16-14(11)13/h1-6,8H,7,9H2
InChIKeySJYQRSIPJHSRNL-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 54.14
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 5-(bromomethyl)-3H-benzo[f]chromene?
The IUPAC name of 5-(bromomethyl)-3H-benzo[f]chromene (CID 101247815) is 5-(bromomethyl)-3H-benzo[f]chromene.
What is the SMILES notation for 5-(bromomethyl)-3H-benzo[f]chromene?
The canonical SMILES for 5-(bromomethyl)-3H-benzo[f]chromene is BrCc1cc2ccccc2c2c1OCC=C2.
What is the InChIKey of 5-(bromomethyl)-3H-benzo[f]chromene?
The InChIKey is SJYQRSIPJHSRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO/c15-9-11-8-10-4-1-2-5-12(10)13-6-3-7-16-14(11)13/h1-6,8H,7,9H2.
What are the key properties of 5-(bromomethyl)-3H-benzo[f]chromene?
5-(bromomethyl)-3H-benzo[f]chromene has a molecular weight of 275.14 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3H-benzo[f]chromene is sourced from PubChem (CID 101247815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).