2-[bromo-(4-methylphenyl)methyl]naphthalene

C18H15Br — CID 63437307

IUPAC2-[bromo-(4-methylphenyl)methyl]naphthalene
SMILESCc1ccc(C(Br)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H15Br/c1-13-6-8-15(9-7-13)18(19)17-11-10-14-4-2-3-5-16(14)12-17/h2-12,18H,1H3
InChIKeyVITFTFIEAKTIDP-UHFFFAOYSA-N
MW311.22 g/mol
LogP5.63
Rot. Bonds2

About 2-[bromo-(4-methylphenyl)methyl]naphthalene

2-[bromo-(4-methylphenyl)methyl]naphthalene (PubChem CID 63437307) has the molecular formula C18H15Br and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-[bromo-(4-methylphenyl)methyl]naphthalene.

Molecular Properties

Compound Name2-[bromo-(4-methylphenyl)methyl]naphthalene
PubChem CID63437307
Molecular FormulaC18H15Br
Molecular Weight311.22 g/mol
Exact Mass310.04
IUPAC Name2-[bromo-(4-methylphenyl)methyl]naphthalene
SMILESCc1ccc(C(Br)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H15Br/c1-13-6-8-15(9-7-13)18(19)17-11-10-14-4-2-3-5-16(14)12-17/h2-12,18H,1H3
InChIKeyVITFTFIEAKTIDP-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.22
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

2-[bromo-(2,4,6-trimethylphenyl)methyl]naphthalene
CID 63440169
1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 51340411
2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene
CID 63440446
2-[bromo(phenyl)methyl]-6-methoxynaphthalene
CID 63444351
2-[1-(4-methylphenyl)-2-phenylethyl]naphthalene
CID 19077007
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene
CID 115354335
2-[bromo(fluoro)methyl]naphthalene
CID 118536685
ethane;2-propan-2-ylnaphthalene
CID 142226111
(1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol
CID 102244244
2-methylnaphthalene chloride
CID 21193556
2-methylnaphthalene;dihydrate
CID 174912803

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-methylphenyl)methyl]naphthalene?
The IUPAC name of 2-[bromo-(4-methylphenyl)methyl]naphthalene (CID 63437307) is 2-[bromo-(4-methylphenyl)methyl]naphthalene.
What is the SMILES notation for 2-[bromo-(4-methylphenyl)methyl]naphthalene?
The canonical SMILES for 2-[bromo-(4-methylphenyl)methyl]naphthalene is Cc1ccc(C(Br)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[bromo-(4-methylphenyl)methyl]naphthalene?
The InChIKey is VITFTFIEAKTIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br/c1-13-6-8-15(9-7-13)18(19)17-11-10-14-4-2-3-5-16(14)12-17/h2-12,18H,1H3.
What are the key properties of 2-[bromo-(4-methylphenyl)methyl]naphthalene?
2-[bromo-(4-methylphenyl)methyl]naphthalene has a molecular weight of 311.22 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-methylphenyl)methyl]naphthalene is sourced from PubChem (CID 63437307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).