2-[(2-bromo-5-methoxyphenyl)methoxy]-2,3-dihydro-1H-indene

C17H17BrO2 — CID 169291898

IUPAC2-[(2-bromo-5-methoxyphenyl)methoxy]-2,3-dihydro-1H-indene
SMILESCOc1ccc(Br)c(COC2Cc3ccccc3C2)c1
InChIInChI=1S/C17H17BrO2/c1-19-15-6-7-17(18)14(10-15)11-20-16-8-12-4-2-3-5-13(12)9-16/h2-7,10,16H,8-9,11H2,1H3
InChIKeyCBOWGBGCFOUMJE-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.14
Rot. Bonds4

About 2-[(2-bromo-5-methoxyphenyl)methoxy]-2,3-dihydro-1H-indene

2-[(2-bromo-5-methoxyphenyl)methoxy]-2,3-dihydro-1H-indene (PubChem CID 169291898) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-[(2-bromo-5-methoxyphenyl)methoxy]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-[(2-bromo-5-methoxyphenyl)methoxy]-2,3-dihydro-1H-indene
PubChem CID169291898
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name2-[(2-bromo-5-methoxyphenyl)methoxy]-2,3-dihydro-1H-indene
SMILESCOc1ccc(Br)c(COC2Cc3ccccc3C2)c1
InChIInChI=1S/C17H17BrO2/c1-19-15-6-7-17(18)14(10-15)11-20-16-8-12-4-2-3-5-13(12)9-16/h2-7,10,16H,8-9,11H2,1H3
InChIKeyCBOWGBGCFOUMJE-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-(2,3-dihydro-1H-inden-2-yloxymethyl)phenol
CID 169291963
4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 65323031
4-[(2-bromo-5-methoxyphenyl)methoxy]-2,6-dimethyloxane
CID 113369276
1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene
CID 65326385
[4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol
CID 106825540
2-[4-bromo-3-(2,3-dihydro-1H-inden-2-yloxymethyl)phenyl]acetonitrile
CID 169291948
1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene
CID 65326433
1-[(2-bromo-5-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65325379
1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene
CID 65326131
1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene
CID 106203735
(2-bromo-5-methoxyphenyl)methyl-trifluoroboranuide
CID 65326541
2-[(2-bromo-5-methoxyphenyl)methyl]-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 65327001

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methoxy]-2,3-dihydro-1H-indene?
The IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methoxy]-2,3-dihydro-1H-indene (CID 169291898) is 2-[(2-bromo-5-methoxyphenyl)methoxy]-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-[(2-bromo-5-methoxyphenyl)methoxy]-2,3-dihydro-1H-indene?
The canonical SMILES for 2-[(2-bromo-5-methoxyphenyl)methoxy]-2,3-dihydro-1H-indene is COc1ccc(Br)c(COC2Cc3ccccc3C2)c1.
What is the InChIKey of 2-[(2-bromo-5-methoxyphenyl)methoxy]-2,3-dihydro-1H-indene?
The InChIKey is CBOWGBGCFOUMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-19-15-6-7-17(18)14(10-15)11-20-16-8-12-4-2-3-5-13(12)9-16/h2-7,10,16H,8-9,11H2,1H3.
What are the key properties of 2-[(2-bromo-5-methoxyphenyl)methoxy]-2,3-dihydro-1H-indene?
2-[(2-bromo-5-methoxyphenyl)methoxy]-2,3-dihydro-1H-indene has a molecular weight of 333.23 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-methoxyphenyl)methoxy]-2,3-dihydro-1H-indene is sourced from PubChem (CID 169291898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).