5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene

C17H17BrO — CID 63437562

IUPAC5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCOc1ccc(C(Br)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C17H17BrO/c1-19-16-9-7-13(8-10-16)17(18)15-6-5-12-3-2-4-14(12)11-15/h5-11,17H,2-4H2,1H3
InChIKeyHCZBEFJFKVCUKB-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.67
Rot. Bonds3

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

5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 63437562) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is 5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID63437562
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCOc1ccc(C(Br)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C17H17BrO/c1-19-16-9-7-13(8-10-16)17(18)15-6-5-12-3-2-4-14(12)11-15/h5-11,17H,2-4H2,1H3
InChIKeyHCZBEFJFKVCUKB-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 63439245
5-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63440402
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-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 174495495
6-[bromo-(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439446
2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine
CID 43115585
2-(4-methoxyphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43198190
5-[bromo-(5-fluoro-2-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63441578
5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81476485
5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63440661
1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 51340411

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene (CID 63437562) is 5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene is COc1ccc(C(Br)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is HCZBEFJFKVCUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO/c1-19-16-9-7-13(8-10-16)17(18)15-6-5-12-3-2-4-14(12)11-15/h5-11,17H,2-4H2,1H3.
What are the key properties of 5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene?
5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 317.23 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 63437562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).