5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene

C13H17Cl — CID 66034063

IUPAC5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene
SMILESCC(CCl)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C13H17Cl/c1-10(9-14)7-11-5-6-12-3-2-4-13(12)8-11/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyZPVUMUCIRSKRDC-UHFFFAOYSA-N
MW208.73 g/mol
LogP3.59
Rot. Bonds3

About 5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene

5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene (PubChem CID 66034063) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is 5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene
PubChem CID66034063
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene
SMILESCC(CCl)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C13H17Cl/c1-10(9-14)7-11-5-6-12-3-2-4-13(12)8-11/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyZPVUMUCIRSKRDC-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
5-[2-(chloromethyl)-4-methylpentyl]-2,3-dihydro-1H-indene
CID 66033857
N-propan-2-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 82262476
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]propane-1,3-diamine
CID 83931724
4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine
CID 170264130
6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 82083794
3-(chloromethyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 121258439
5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2,3-dihydro-1H-indene
CID 66048824
1-(2,3-dihydro-1H-inden-5-yl)-5-methoxy-4-methylpentan-2-ol
CID 105101654
[1-(2,3-dihydro-1H-inden-5-yl)-3,4-dimethylpentan-2-yl]hydrazine
CID 105310742
1-(2,3-dihydro-1H-inden-5-yl)-N-ethenyl-N-methylpropan-2-amine
CID 167310084

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene?
The IUPAC name of 5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene (CID 66034063) is 5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene is CC(CCl)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene?
The InChIKey is ZPVUMUCIRSKRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl/c1-10(9-14)7-11-5-6-12-3-2-4-13(12)8-11/h5-6,8,10H,2-4,7,9H2,1H3.
What are the key properties of 5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene?
5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene has a molecular weight of 208.73 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 66034063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).