5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene

C17H17Br — CID 63440661

IUPAC5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCc1cccc(C(Br)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H17Br/c1-12-4-2-7-15(10-12)17(18)16-9-8-13-5-3-6-14(13)11-16/h2,4,7-11,17H,3,5-6H2,1H3
InChIKeyPEJMPRWZSCFMEB-UHFFFAOYSA-N
MW301.23 g/mol
LogP4.97
Rot. Bonds2

About 5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene

5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 63440661) has the molecular formula C17H17Br and a molecular weight of 301.23 g/mol. Its IUPAC name is 5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID63440661
Molecular FormulaC17H17Br
Molecular Weight301.23 g/mol
Exact Mass300.05
IUPAC Name5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCc1cccc(C(Br)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H17Br/c1-12-4-2-7-15(10-12)17(18)16-9-8-13-5-3-6-14(13)11-16/h2,4,7-11,17H,3,5-6H2,1H3
InChIKeyPEJMPRWZSCFMEB-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 54.97
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-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81476485
5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 63439245
2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene
CID 63440446
5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63437148
5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63437562
(1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine
CID 81361061
5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198009
5-[bromo-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63440400
1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 116961881
[1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105285057
2-bromo-4-[bromo-(3-methylphenyl)methyl]-1-fluorobenzene
CID 79742867
1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43480640

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene (CID 63440661) is 5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene is Cc1cccc(C(Br)c2ccc3c(c2)CCC3)c1.
What is the InChIKey of 5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is PEJMPRWZSCFMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br/c1-12-4-2-7-15(10-12)17(18)16-9-8-13-5-3-6-14(13)11-16/h2,4,7-11,17H,3,5-6H2,1H3.
What are the key properties of 5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene?
5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 301.23 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 63440661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).