1-bromo-6-methyl-7-(4-methylphenyl)-4-phenylmethoxynaphthalene

C25H21BrO — CID 121324732

IUPAC1-bromo-6-methyl-7-(4-methylphenyl)-4-phenylmethoxynaphthalene
SMILESCc1ccc(-c2cc3c(Br)ccc(OCc4ccccc4)c3cc2C)cc1
InChIInChI=1S/C25H21BrO/c1-17-8-10-20(11-9-17)21-15-22-23(14-18(21)2)25(13-12-24(22)26)27-16-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3
InChIKeyQVKMLNPVXYATBE-UHFFFAOYSA-N
MW417.35 g/mol
LogP7.47
Rot. Bonds4

About 1-bromo-6-methyl-7-(4-methylphenyl)-4-phenylmethoxynaphthalene

1-bromo-6-methyl-7-(4-methylphenyl)-4-phenylmethoxynaphthalene (PubChem CID 121324732) has the molecular formula C25H21BrO and a molecular weight of 417.35 g/mol. Its IUPAC name is 1-bromo-6-methyl-7-(4-methylphenyl)-4-phenylmethoxynaphthalene.

Molecular Properties

Compound Name1-bromo-6-methyl-7-(4-methylphenyl)-4-phenylmethoxynaphthalene
PubChem CID121324732
Molecular FormulaC25H21BrO
Molecular Weight417.35 g/mol
Exact Mass416.08
IUPAC Name1-bromo-6-methyl-7-(4-methylphenyl)-4-phenylmethoxynaphthalene
SMILESCc1ccc(-c2cc3c(Br)ccc(OCc4ccccc4)c3cc2C)cc1
InChIInChI=1S/C25H21BrO/c1-17-8-10-20(11-9-17)21-15-22-23(14-18(21)2)25(13-12-24(22)26)27-16-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3
InChIKeyQVKMLNPVXYATBE-UHFFFAOYSA-N
XLogP7.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.35
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene
CID 11035690
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
5-(2,5-dimethylphenyl)-2-phenylmethoxybenzonitrile
CID 175686489
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188
1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene
CID 134498356
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530
8-bromo-5-phenylmethoxyisoquinoline
CID 69449029
2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene
CID 63534889
[4-[7-methyl-3,5-bis(phenylmethoxy)chromenylium-2-yl]-2-phenylmethoxyphenyl] hypobromite
CID 161237616
1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
CID 164894745
bromobenzene;1-bromo-4-methyl-2-phenylmethoxybenzene;ethane;methane;4-methyl-1-phenyl-2-phenylmethoxybenzene;4-phenylbenzene-1,3-diol
CID 159498866

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-methyl-7-(4-methylphenyl)-4-phenylmethoxynaphthalene?
The IUPAC name of 1-bromo-6-methyl-7-(4-methylphenyl)-4-phenylmethoxynaphthalene (CID 121324732) is 1-bromo-6-methyl-7-(4-methylphenyl)-4-phenylmethoxynaphthalene.
What is the SMILES notation for 1-bromo-6-methyl-7-(4-methylphenyl)-4-phenylmethoxynaphthalene?
The canonical SMILES for 1-bromo-6-methyl-7-(4-methylphenyl)-4-phenylmethoxynaphthalene is Cc1ccc(-c2cc3c(Br)ccc(OCc4ccccc4)c3cc2C)cc1.
What is the InChIKey of 1-bromo-6-methyl-7-(4-methylphenyl)-4-phenylmethoxynaphthalene?
The InChIKey is QVKMLNPVXYATBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrO/c1-17-8-10-20(11-9-17)21-15-22-23(14-18(21)2)25(13-12-24(22)26)27-16-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3.
What are the key properties of 1-bromo-6-methyl-7-(4-methylphenyl)-4-phenylmethoxynaphthalene?
1-bromo-6-methyl-7-(4-methylphenyl)-4-phenylmethoxynaphthalene has a molecular weight of 417.35 g/mol, XLogP of 7.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-methyl-7-(4-methylphenyl)-4-phenylmethoxynaphthalene is sourced from PubChem (CID 121324732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).