9-bromo-9-methylcyclohepta[b][1]benzofuran

C14H11BrO — CID 178110244

IUPAC9-bromo-9-methylcyclohepta[b][1]benzofuran
SMILESCC1(Br)C=CC=c2oc3ccccc3c2=C1
InChIInChI=1S/C14H11BrO/c1-14(15)8-4-7-13-11(9-14)10-5-2-3-6-12(10)16-13/h2-9H,1H3
InChIKeyDBKXPWQDZIGRRB-UHFFFAOYSA-N
MW275.14 g/mol
LogP2.72
Rot. Bonds

About 9-bromo-9-methylcyclohepta[b][1]benzofuran

9-bromo-9-methylcyclohepta[b][1]benzofuran (PubChem CID 178110244) has the molecular formula C14H11BrO and a molecular weight of 275.14 g/mol. Its IUPAC name is 9-bromo-9-methylcyclohepta[b][1]benzofuran.

Molecular Properties

Compound Name9-bromo-9-methylcyclohepta[b][1]benzofuran
PubChem CID178110244
Molecular FormulaC14H11BrO
Molecular Weight275.14 g/mol
Exact Mass274.00
IUPAC Name9-bromo-9-methylcyclohepta[b][1]benzofuran
SMILESCC1(Br)C=CC=c2oc3ccccc3c2=C1
InChIInChI=1S/C14H11BrO/c1-14(15)8-4-7-13-11(9-14)10-5-2-3-6-12(10)16-13/h2-9H,1H3
InChIKeyDBKXPWQDZIGRRB-UHFFFAOYSA-N
XLogP2.72
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 52.72
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

2-methyl-3H-dibenzofuran-2-amine
CID 166919282
methylidene(xanthen-9-ylidene)-λ4-sulfane
CID 101030051
2,3-dihydrodibenzofuran
CID 58536247
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
8,8-dimethylcyclohepta[b][1]benzofuran
CID 123947483
dibenzofuran-1,2-diamine
CID 21425844
11-bromo-19-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,15,17-octaene
CID 148656972
dibenzofuran;molecular hydrogen
CID 173065186
dibenzofuran;dihydrate;dihydrochloride
CID 21327105
3-(1-phenylethyl)-2-[[3-(1-phenylethyl)-1-benzofuran-2-yl]disulfanyl]-1-benzofuran
CID 10029222
2H-dibenzofuran-3-one;dihydrochloride
CID 160827509

Frequently Asked Questions

What is the IUPAC name of 9-bromo-9-methylcyclohepta[b][1]benzofuran?
The IUPAC name of 9-bromo-9-methylcyclohepta[b][1]benzofuran (CID 178110244) is 9-bromo-9-methylcyclohepta[b][1]benzofuran.
What is the SMILES notation for 9-bromo-9-methylcyclohepta[b][1]benzofuran?
The canonical SMILES for 9-bromo-9-methylcyclohepta[b][1]benzofuran is CC1(Br)C=CC=c2oc3ccccc3c2=C1.
What is the InChIKey of 9-bromo-9-methylcyclohepta[b][1]benzofuran?
The InChIKey is DBKXPWQDZIGRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO/c1-14(15)8-4-7-13-11(9-14)10-5-2-3-6-12(10)16-13/h2-9H,1H3.
What are the key properties of 9-bromo-9-methylcyclohepta[b][1]benzofuran?
9-bromo-9-methylcyclohepta[b][1]benzofuran has a molecular weight of 275.14 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-9-methylcyclohepta[b][1]benzofuran is sourced from PubChem (CID 178110244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).