5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene

C20H23Cl — CID 63430886

IUPAC5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene
SMILESCC(C)Cc1ccc(C(Cl)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C20H23Cl/c1-14(2)12-15-6-8-17(9-7-15)20(21)19-11-10-16-4-3-5-18(16)13-19/h6-11,13-14,20H,3-5,12H2,1-2H3
InChIKeyOPRMKCJPSILKNO-UHFFFAOYSA-N
MW298.86 g/mol
LogP5.70
Rot. Bonds4

About 5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene

5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene (PubChem CID 63430886) has the molecular formula C20H23Cl and a molecular weight of 298.86 g/mol. Its IUPAC name is 5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene
PubChem CID63430886
Molecular FormulaC20H23Cl
Molecular Weight298.86 g/mol
Exact Mass298.15
IUPAC Name5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene
SMILESCC(C)Cc1ccc(C(Cl)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C20H23Cl/c1-14(2)12-15-6-8-17(9-7-15)20(21)19-11-10-16-4-3-5-18(16)13-19/h6-11,13-14,20H,3-5,12H2,1-2H3
InChIKeyOPRMKCJPSILKNO-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.86
LogP ≤ 55.70
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-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1,3-dihydro-2-benzofuran
CID 63742340
6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431080
5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 63429122
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene
CID 115482816
6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430631
5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198708
4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine
CID 170264130
5-(1-chloropropyl)-2,3-dihydro-1H-indene
CID 61086419
1-[chloro-(4-methoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431171
5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene
CID 66034063
3-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]furan
CID 63431176

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene (CID 63430886) is 5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene is CC(C)Cc1ccc(C(Cl)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene?
The InChIKey is OPRMKCJPSILKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl/c1-14(2)12-15-6-8-17(9-7-15)20(21)19-11-10-16-4-3-5-18(16)13-19/h6-11,13-14,20H,3-5,12H2,1-2H3.
What are the key properties of 5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene?
5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene has a molecular weight of 298.86 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 63430886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).