5-[2-(chloromethyl)-4-methylpentyl]-2,3-dihydro-1H-indene

C16H23Cl — CID 66033857

IUPAC5-[2-(chloromethyl)-4-methylpentyl]-2,3-dihydro-1H-indene
SMILESCC(C)CC(CCl)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H23Cl/c1-12(2)8-14(11-17)9-13-6-7-15-4-3-5-16(15)10-13/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3
InChIKeyZMMADVKEJGINFY-UHFFFAOYSA-N
MW250.81 g/mol
LogP4.62
Rot. Bonds5

About 5-[2-(chloromethyl)-4-methylpentyl]-2,3-dihydro-1H-indene

5-[2-(chloromethyl)-4-methylpentyl]-2,3-dihydro-1H-indene (PubChem CID 66033857) has the molecular formula C16H23Cl and a molecular weight of 250.81 g/mol. Its IUPAC name is 5-[2-(chloromethyl)-4-methylpentyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[2-(chloromethyl)-4-methylpentyl]-2,3-dihydro-1H-indene
PubChem CID66033857
Molecular FormulaC16H23Cl
Molecular Weight250.81 g/mol
Exact Mass250.15
IUPAC Name5-[2-(chloromethyl)-4-methylpentyl]-2,3-dihydro-1H-indene
SMILESCC(C)CC(CCl)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H23Cl/c1-12(2)8-14(11-17)9-13-6-7-15-4-3-5-16(15)10-13/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3
InChIKeyZMMADVKEJGINFY-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.81
LogP ≤ 54.62
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

5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene
CID 66034063
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2,3-dihydro-1H-indene
CID 66048824
4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine
CID 170264130
N-propan-2-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 82262476
5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene
CID 63430886
[1-(2,3-dihydro-1H-inden-5-yl)-5-methylhexan-2-yl]hydrazine
CID 105207475
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
6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 82083794
3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 115865082
3-(chloromethyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 121258439

Frequently Asked Questions

What is the IUPAC name of 5-[2-(chloromethyl)-4-methylpentyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[2-(chloromethyl)-4-methylpentyl]-2,3-dihydro-1H-indene (CID 66033857) is 5-[2-(chloromethyl)-4-methylpentyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[2-(chloromethyl)-4-methylpentyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[2-(chloromethyl)-4-methylpentyl]-2,3-dihydro-1H-indene is CC(C)CC(CCl)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 5-[2-(chloromethyl)-4-methylpentyl]-2,3-dihydro-1H-indene?
The InChIKey is ZMMADVKEJGINFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl/c1-12(2)8-14(11-17)9-13-6-7-15-4-3-5-16(15)10-13/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3.
What are the key properties of 5-[2-(chloromethyl)-4-methylpentyl]-2,3-dihydro-1H-indene?
5-[2-(chloromethyl)-4-methylpentyl]-2,3-dihydro-1H-indene has a molecular weight of 250.81 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(chloromethyl)-4-methylpentyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 66033857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).