4-bromo-1-methoxy-2,5,6-trimethyl-2,3-dihydro-1H-indene

C13H17BrO — CID 59608908

IUPAC4-bromo-1-methoxy-2,5,6-trimethyl-2,3-dihydro-1H-indene
SMILESCOC1c2cc(C)c(C)c(Br)c2CC1C
InChIInChI=1S/C13H17BrO/c1-7-5-11-10(12(14)9(7)3)6-8(2)13(11)15-4/h5,8,13H,6H2,1-4H3
InChIKeyFPSIJXNNNRMTBX-UHFFFAOYSA-N
MW269.18 g/mol
LogP3.95
Rot. Bonds1

About 4-bromo-1-methoxy-2,5,6-trimethyl-2,3-dihydro-1H-indene

4-bromo-1-methoxy-2,5,6-trimethyl-2,3-dihydro-1H-indene (PubChem CID 59608908) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 4-bromo-1-methoxy-2,5,6-trimethyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-bromo-1-methoxy-2,5,6-trimethyl-2,3-dihydro-1H-indene
PubChem CID59608908
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name4-bromo-1-methoxy-2,5,6-trimethyl-2,3-dihydro-1H-indene
SMILESCOC1c2cc(C)c(C)c(Br)c2CC1C
InChIInChI=1S/C13H17BrO/c1-7-5-11-10(12(14)9(7)3)6-8(2)13(11)15-4/h5,8,13H,6H2,1-4H3
InChIKeyFPSIJXNNNRMTBX-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.95
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-2,5,6-trimethyl-2,3-dihydro-1H-indene?
The IUPAC name of 4-bromo-1-methoxy-2,5,6-trimethyl-2,3-dihydro-1H-indene (CID 59608908) is 4-bromo-1-methoxy-2,5,6-trimethyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-bromo-1-methoxy-2,5,6-trimethyl-2,3-dihydro-1H-indene?
The canonical SMILES for 4-bromo-1-methoxy-2,5,6-trimethyl-2,3-dihydro-1H-indene is COC1c2cc(C)c(C)c(Br)c2CC1C.
What is the InChIKey of 4-bromo-1-methoxy-2,5,6-trimethyl-2,3-dihydro-1H-indene?
The InChIKey is FPSIJXNNNRMTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c1-7-5-11-10(12(14)9(7)3)6-8(2)13(11)15-4/h5,8,13H,6H2,1-4H3.
What are the key properties of 4-bromo-1-methoxy-2,5,6-trimethyl-2,3-dihydro-1H-indene?
4-bromo-1-methoxy-2,5,6-trimethyl-2,3-dihydro-1H-indene has a molecular weight of 269.18 g/mol, XLogP of 3.95, 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-2,5,6-trimethyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 59608908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).