5-(1-chloropropyl)-2,3-dihydro-1H-indene

C12H15Cl — CID 61086419

IUPAC5-(1-chloropropyl)-2,3-dihydro-1H-indene
SMILESCCC(Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C12H15Cl/c1-2-12(13)11-7-6-9-4-3-5-10(9)8-11/h6-8,12H,2-5H2,1H3
InChIKeyXXRPNVHYPKFBNT-UHFFFAOYSA-N
MW194.70 g/mol
LogP3.87
Rot. Bonds2

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

5-(1-chloropropyl)-2,3-dihydro-1H-indene (PubChem CID 61086419) has the molecular formula C12H15Cl and a molecular weight of 194.70 g/mol. Its IUPAC name is 5-(1-chloropropyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-(1-chloropropyl)-2,3-dihydro-1H-indene
PubChem CID61086419
Molecular FormulaC12H15Cl
Molecular Weight194.70 g/mol
Exact Mass194.09
IUPAC Name5-(1-chloropropyl)-2,3-dihydro-1H-indene
SMILESCCC(Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C12H15Cl/c1-2-12(13)11-7-6-9-4-3-5-10(9)8-11/h6-8,12H,2-5H2,1H3
InChIKeyXXRPNVHYPKFBNT-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.70
LogP ≤ 53.87
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

1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine
CID 82215291
N-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutan-1-amine
CID 82215306
5-(1-bromo-3-methylpentyl)-2,3-dihydro-1H-indene
CID 114876125
5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene
CID 115482816
6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 63431085
(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43111676
1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylpiperidine
CID 82215293
6-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 103165564
6-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 63430990
5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 63429122
5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene
CID 63430886
ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate
CID 164900857

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloropropyl)-2,3-dihydro-1H-indene?
The IUPAC name of 5-(1-chloropropyl)-2,3-dihydro-1H-indene (CID 61086419) is 5-(1-chloropropyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-(1-chloropropyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 5-(1-chloropropyl)-2,3-dihydro-1H-indene is CCC(Cl)c1ccc2c(c1)CCC2.
What is the InChIKey of 5-(1-chloropropyl)-2,3-dihydro-1H-indene?
The InChIKey is XXRPNVHYPKFBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl/c1-2-12(13)11-7-6-9-4-3-5-10(9)8-11/h6-8,12H,2-5H2,1H3.
What are the key properties of 5-(1-chloropropyl)-2,3-dihydro-1H-indene?
5-(1-chloropropyl)-2,3-dihydro-1H-indene has a molecular weight of 194.70 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloropropyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 61086419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).