5-[(2-bromo-4-methoxyphenoxy)methyl]-2,3-dihydro-1H-indene

C17H17BrO2 — CID 104707269

IUPAC5-[(2-bromo-4-methoxyphenoxy)methyl]-2,3-dihydro-1H-indene
SMILESCOc1ccc(OCc2ccc3c(c2)CCC3)c(Br)c1
InChIInChI=1S/C17H17BrO2/c1-19-15-7-8-17(16(18)10-15)20-11-12-5-6-13-3-2-4-14(13)9-12/h5-10H,2-4,11H2,1H3
InChIKeyBQJIYTIFHIHOEN-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.53
Rot. Bonds4

About 5-[(2-bromo-4-methoxyphenoxy)methyl]-2,3-dihydro-1H-indene

5-[(2-bromo-4-methoxyphenoxy)methyl]-2,3-dihydro-1H-indene (PubChem CID 104707269) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 5-[(2-bromo-4-methoxyphenoxy)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[(2-bromo-4-methoxyphenoxy)methyl]-2,3-dihydro-1H-indene
PubChem CID104707269
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name5-[(2-bromo-4-methoxyphenoxy)methyl]-2,3-dihydro-1H-indene
SMILESCOc1ccc(OCc2ccc3c(c2)CCC3)c(Br)c1
InChIInChI=1S/C17H17BrO2/c1-19-15-7-8-17(16(18)10-15)20-11-12-5-6-13-3-2-4-14(13)9-12/h5-10H,2-4,11H2,1H3
InChIKeyBQJIYTIFHIHOEN-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-(2,3-dihydro-1H-inden-5-ylmethoxy)aniline
CID 103008604
2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene
CID 63536563
4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine
CID 104704629
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 63046855
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
5-[(3-bromophenyl)methoxy]-2,3-dihydro-1H-indene
CID 60645315
3-[(2-bromo-4-methoxyphenoxy)methyl]-5-fluoropyridine
CID 114084375
1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene
CID 65323171
3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene
CID 104707478
methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 171484206
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,5-dimethoxybenzenesulfonamide
CID 110780390
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-4-methoxyphenoxy)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[(2-bromo-4-methoxyphenoxy)methyl]-2,3-dihydro-1H-indene (CID 104707269) is 5-[(2-bromo-4-methoxyphenoxy)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[(2-bromo-4-methoxyphenoxy)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[(2-bromo-4-methoxyphenoxy)methyl]-2,3-dihydro-1H-indene is COc1ccc(OCc2ccc3c(c2)CCC3)c(Br)c1.
What is the InChIKey of 5-[(2-bromo-4-methoxyphenoxy)methyl]-2,3-dihydro-1H-indene?
The InChIKey is BQJIYTIFHIHOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-19-15-7-8-17(16(18)10-15)20-11-12-5-6-13-3-2-4-14(13)9-12/h5-10H,2-4,11H2,1H3.
What are the key properties of 5-[(2-bromo-4-methoxyphenoxy)methyl]-2,3-dihydro-1H-indene?
5-[(2-bromo-4-methoxyphenoxy)methyl]-2,3-dihydro-1H-indene has a molecular weight of 333.23 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-4-methoxyphenoxy)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 104707269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).