5-[2-(bromomethyl)-5-chlorophenoxy]-2,3-dihydro-1H-indene

C16H14BrClO — CID 107087384

IUPAC5-[2-(bromomethyl)-5-chlorophenoxy]-2,3-dihydro-1H-indene
SMILESClc1ccc(CBr)c(Oc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H14BrClO/c17-10-13-4-6-14(18)9-16(13)19-15-7-5-11-2-1-3-12(11)8-15/h4-9H,1-3,10H2
InChIKeyAJSLPTFUYHBHSE-UHFFFAOYSA-N
MW337.64 g/mol
LogP5.52
Rot. Bonds3

About 5-[2-(bromomethyl)-5-chlorophenoxy]-2,3-dihydro-1H-indene

5-[2-(bromomethyl)-5-chlorophenoxy]-2,3-dihydro-1H-indene (PubChem CID 107087384) has the molecular formula C16H14BrClO and a molecular weight of 337.64 g/mol. Its IUPAC name is 5-[2-(bromomethyl)-5-chlorophenoxy]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[2-(bromomethyl)-5-chlorophenoxy]-2,3-dihydro-1H-indene
PubChem CID107087384
Molecular FormulaC16H14BrClO
Molecular Weight337.64 g/mol
Exact Mass335.99
IUPAC Name5-[2-(bromomethyl)-5-chlorophenoxy]-2,3-dihydro-1H-indene
SMILESClc1ccc(CBr)c(Oc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H14BrClO/c17-10-13-4-6-14(18)9-16(13)19-15-7-5-11-2-1-3-12(11)8-15/h4-9H,1-3,10H2
InChIKeyAJSLPTFUYHBHSE-UHFFFAOYSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.64
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-[2-(bromomethyl)-5-chlorophenoxy]-2-methylbenzene
CID 107089078
6-[2-(bromomethyl)-3-chlorophenoxy]-1,2,3,4-tetrahydronaphthalene
CID 107088177
[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol
CID 43174103
4-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzenecarbothioamide
CID 63519659
[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanol
CID 63539756
[2-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine
CID 107532626
2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)aniline
CID 113458730
5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzenecarboximidamide
CID 63525016
N-[[2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]propan-2-amine
CID 43283537
2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine
CID 63803303
(1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 63540494
[4-chloro-2-(4-chlorophenoxy)phenyl]methanol
CID 86078233

Frequently Asked Questions

What is the IUPAC name of 5-[2-(bromomethyl)-5-chlorophenoxy]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[2-(bromomethyl)-5-chlorophenoxy]-2,3-dihydro-1H-indene (CID 107087384) is 5-[2-(bromomethyl)-5-chlorophenoxy]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[2-(bromomethyl)-5-chlorophenoxy]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[2-(bromomethyl)-5-chlorophenoxy]-2,3-dihydro-1H-indene is Clc1ccc(CBr)c(Oc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 5-[2-(bromomethyl)-5-chlorophenoxy]-2,3-dihydro-1H-indene?
The InChIKey is AJSLPTFUYHBHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO/c17-10-13-4-6-14(18)9-16(13)19-15-7-5-11-2-1-3-12(11)8-15/h4-9H,1-3,10H2.
What are the key properties of 5-[2-(bromomethyl)-5-chlorophenoxy]-2,3-dihydro-1H-indene?
5-[2-(bromomethyl)-5-chlorophenoxy]-2,3-dihydro-1H-indene has a molecular weight of 337.64 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(bromomethyl)-5-chlorophenoxy]-2,3-dihydro-1H-indene is sourced from PubChem (CID 107087384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).