2-bromo-1-methoxy-2,3-dihydro-1H-indene

C10H11BrO — CID 12616572

IUPAC2-bromo-1-methoxy-2,3-dihydro-1H-indene
SMILESCOC1c2ccccc2CC1Br
InChIInChI=1S/C10H11BrO/c1-12-10-8-5-3-2-4-7(8)6-9(10)11/h2-5,9-10H,6H2,1H3
InChIKeySRWWVPVOMXSKQR-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.69
Rot. Bonds1

About 2-bromo-1-methoxy-2,3-dihydro-1H-indene

2-bromo-1-methoxy-2,3-dihydro-1H-indene (PubChem CID 12616572) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 2-bromo-1-methoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-bromo-1-methoxy-2,3-dihydro-1H-indene
PubChem CID12616572
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name2-bromo-1-methoxy-2,3-dihydro-1H-indene
SMILESCOC1c2ccccc2CC1Br
InChIInChI=1S/C10H11BrO/c1-12-10-8-5-3-2-4-7(8)6-9(10)11/h2-5,9-10H,6H2,1H3
InChIKeySRWWVPVOMXSKQR-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.69
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 2-bromo-1-methoxy-2,3-dihydro-1H-indene?
The IUPAC name of 2-bromo-1-methoxy-2,3-dihydro-1H-indene (CID 12616572) is 2-bromo-1-methoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-bromo-1-methoxy-2,3-dihydro-1H-indene?
The canonical SMILES for 2-bromo-1-methoxy-2,3-dihydro-1H-indene is COC1c2ccccc2CC1Br.
What is the InChIKey of 2-bromo-1-methoxy-2,3-dihydro-1H-indene?
The InChIKey is SRWWVPVOMXSKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c1-12-10-8-5-3-2-4-7(8)6-9(10)11/h2-5,9-10H,6H2,1H3.
What are the key properties of 2-bromo-1-methoxy-2,3-dihydro-1H-indene?
2-bromo-1-methoxy-2,3-dihydro-1H-indene has a molecular weight of 227.10 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 12616572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).