chloromethyl [(1R)-2,3-dihydro-1H-inden-1-yl] carbonate

C11H11ClO3 — CID 121218784

IUPACchloromethyl [(1R)-2,3-dihydro-1H-inden-1-yl] carbonate
SMILESO=C(OCCl)O[C@@H]1CCc2ccccc21
InChIInChI=1S/C11H11ClO3/c12-7-14-11(13)15-10-6-5-8-3-1-2-4-9(8)10/h1-4,10H,5-7H2/t10-/m1/s1
InChIKeyKYYMJEPYOQURGW-SNVBAGLBSA-N
MW226.66 g/mol
LogP3.02
Rot. Bonds2

About chloromethyl [(1R)-2,3-dihydro-1H-inden-1-yl] carbonate

chloromethyl [(1R)-2,3-dihydro-1H-inden-1-yl] carbonate (PubChem CID 121218784) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is chloromethyl [(1R)-2,3-dihydro-1H-inden-1-yl] carbonate.

Molecular Properties

Compound Namechloromethyl [(1R)-2,3-dihydro-1H-inden-1-yl] carbonate
PubChem CID121218784
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Namechloromethyl [(1R)-2,3-dihydro-1H-inden-1-yl] carbonate
SMILESO=C(OCCl)O[C@@H]1CCc2ccccc21
InChIInChI=1S/C11H11ClO3/c12-7-14-11(13)15-10-6-5-8-3-1-2-4-9(8)10/h1-4,10H,5-7H2/t10-/m1/s1
InChIKeyKYYMJEPYOQURGW-SNVBAGLBSA-N
XLogP3.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1H-inden-1-yl 2-methylbutanoate
CID 59254180
2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate
CID 10262840
[(1S)-2,3-dihydro-1H-inden-1-yl] 2-[4,7,10-tris[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 101249884
1-O-(2,3-dihydro-1H-inden-1-yl) 3-O-ethyl 2-ethylpropanedioate
CID 57028303
1-(2,3-dihydro-1H-inden-1-yloxymethoxy)-2,3-dihydro-1H-indene
CID 70037925
[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] benzoate
CID 100999748
1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate
CID 61279700
2,3-dihydro-1H-inden-1-yl N-(4-methoxyphenyl)carbamate
CID 102129679
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylpropanoate
CID 101012492
1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate
CID 21316429
1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-3-methylbutanoate
CID 81072196
(2R,3R)-2-(2,3-dihydro-1H-inden-1-yloxy)-3-hydroxybutanedioic acid
CID 102059267

Frequently Asked Questions

What is the IUPAC name of chloromethyl [(1R)-2,3-dihydro-1H-inden-1-yl] carbonate?
The IUPAC name of chloromethyl [(1R)-2,3-dihydro-1H-inden-1-yl] carbonate (CID 121218784) is chloromethyl [(1R)-2,3-dihydro-1H-inden-1-yl] carbonate.
What is the SMILES notation for chloromethyl [(1R)-2,3-dihydro-1H-inden-1-yl] carbonate?
The canonical SMILES for chloromethyl [(1R)-2,3-dihydro-1H-inden-1-yl] carbonate is O=C(OCCl)O[C@@H]1CCc2ccccc21.
What is the InChIKey of chloromethyl [(1R)-2,3-dihydro-1H-inden-1-yl] carbonate?
The InChIKey is KYYMJEPYOQURGW-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11ClO3/c12-7-14-11(13)15-10-6-5-8-3-1-2-4-9(8)10/h1-4,10H,5-7H2/t10-/m1/s1.
What are the key properties of chloromethyl [(1R)-2,3-dihydro-1H-inden-1-yl] carbonate?
chloromethyl [(1R)-2,3-dihydro-1H-inden-1-yl] carbonate has a molecular weight of 226.66 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl [(1R)-2,3-dihydro-1H-inden-1-yl] carbonate is sourced from PubChem (CID 121218784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).