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

C20H23Cl — CID 115482816

IUPAC5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCCc1ccc(C(Cl)c2ccc3c(c2)CCC3)cc1CC
InChIInChI=1S/C20H23Cl/c1-3-14-8-10-18(12-15(14)4-2)20(21)19-11-9-16-6-5-7-17(16)13-19/h8-13,20H,3-7H2,1-2H3
InChIKeyOMDORLHJHMFVOM-UHFFFAOYSA-N
MW298.86 g/mol
LogP5.63
Rot. Bonds4

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

5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 115482816) has the molecular formula C20H23Cl and a molecular weight of 298.86 g/mol. Its IUPAC name is 5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID115482816
Molecular FormulaC20H23Cl
Molecular Weight298.86 g/mol
Exact Mass298.15
IUPAC Name5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCCc1ccc(C(Cl)c2ccc3c(c2)CCC3)cc1CC
InChIInChI=1S/C20H23Cl/c1-3-14-8-10-18(12-15(14)4-2)20(21)19-11-9-16-6-5-7-17(16)13-19/h8-13,20H,3-7H2,1-2H3
InChIKeyOMDORLHJHMFVOM-UHFFFAOYSA-N
XLogP5.63
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 ≤ 55.63
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-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 115482879
5-(1-chloropropyl)-2,3-dihydro-1H-indene
CID 61086419
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
6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431080
5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198708
1-[chloro-(3,4-diethylphenyl)methyl]-3,5-difluorobenzene
CID 115482894
5-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63444363
6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430631
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140
2-bromo-4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]thiophene
CID 107964507
(3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 115481937

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene (CID 115482816) is 5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene is CCc1ccc(C(Cl)c2ccc3c(c2)CCC3)cc1CC.
What is the InChIKey of 5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is OMDORLHJHMFVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl/c1-3-14-8-10-18(12-15(14)4-2)20(21)19-11-9-16-6-5-7-17(16)13-19/h8-13,20H,3-7H2,1-2H3.
What are the key properties of 5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene?
5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 298.86 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 115482816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).