4-bromo-1-methoxy-2,5-dimethyl-2,3-dihydro-1H-indene

C12H15BrO — CID 6423250

IUPAC4-bromo-1-methoxy-2,5-dimethyl-2,3-dihydro-1H-indene
SMILESCOC1c2ccc(C)c(Br)c2CC1C
InChIInChI=1S/C12H15BrO/c1-7-4-5-9-10(11(7)13)6-8(2)12(9)14-3/h4-5,8,12H,6H2,1-3H3
InChIKeyOTLWQOVMQFPQSG-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.64
Rot. Bonds1

About 4-bromo-1-methoxy-2,5-dimethyl-2,3-dihydro-1H-indene

4-bromo-1-methoxy-2,5-dimethyl-2,3-dihydro-1H-indene (PubChem CID 6423250) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 4-bromo-1-methoxy-2,5-dimethyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-bromo-1-methoxy-2,5-dimethyl-2,3-dihydro-1H-indene
PubChem CID6423250
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name4-bromo-1-methoxy-2,5-dimethyl-2,3-dihydro-1H-indene
SMILESCOC1c2ccc(C)c(Br)c2CC1C
InChIInChI=1S/C12H15BrO/c1-7-4-5-9-10(11(7)13)6-8(2)12(9)14-3/h4-5,8,12H,6H2,1-3H3
InChIKeyOTLWQOVMQFPQSG-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methoxy-2,5-dimethyl-2,3-dihydro-1H-indene?
The IUPAC name of 4-bromo-1-methoxy-2,5-dimethyl-2,3-dihydro-1H-indene (CID 6423250) is 4-bromo-1-methoxy-2,5-dimethyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-bromo-1-methoxy-2,5-dimethyl-2,3-dihydro-1H-indene?
The canonical SMILES for 4-bromo-1-methoxy-2,5-dimethyl-2,3-dihydro-1H-indene is COC1c2ccc(C)c(Br)c2CC1C.
What is the InChIKey of 4-bromo-1-methoxy-2,5-dimethyl-2,3-dihydro-1H-indene?
The InChIKey is OTLWQOVMQFPQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-7-4-5-9-10(11(7)13)6-8(2)12(9)14-3/h4-5,8,12H,6H2,1-3H3.
What are the key properties of 4-bromo-1-methoxy-2,5-dimethyl-2,3-dihydro-1H-indene?
4-bromo-1-methoxy-2,5-dimethyl-2,3-dihydro-1H-indene has a molecular weight of 255.15 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methoxy-2,5-dimethyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 6423250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).