1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene

C18H14Br2O — CID 134843780

IUPAC1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene
SMILESCc1ccc(COc2ccc3cc(Br)ccc3c2Br)cc1
InChIInChI=1S/C18H14Br2O/c1-12-2-4-13(5-3-12)11-21-17-9-6-14-10-15(19)7-8-16(14)18(17)20/h2-10H,11H2,1H3
InChIKeyOUKVHKCWBABQPD-UHFFFAOYSA-N
MW406.12 g/mol
LogP6.25
Rot. Bonds3

About 1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene

1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene (PubChem CID 134843780) has the molecular formula C18H14Br2O and a molecular weight of 406.12 g/mol. Its IUPAC name is 1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene.

Molecular Properties

Compound Name1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene
PubChem CID134843780
Molecular FormulaC18H14Br2O
Molecular Weight406.12 g/mol
Exact Mass403.94
IUPAC Name1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene
SMILESCc1ccc(COc2ccc3cc(Br)ccc3c2Br)cc1
InChIInChI=1S/C18H14Br2O/c1-12-2-4-13(5-3-12)11-21-17-9-6-14-10-15(19)7-8-16(14)18(17)20/h2-10H,11H2,1H3
InChIKeyOUKVHKCWBABQPD-UHFFFAOYSA-N
XLogP6.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.12
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene
CID 59168529
4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene
CID 146003862
1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene
CID 60623254
2-bromo-9,10-bis[(4-methylphenyl)methoxy]anthracene
CID 160603316
1-bromo-2-[(3-methylphenyl)methoxy]naphthalene
CID 60623253
4-bromo-1-[(4-methylphenyl)methoxy]-2-nitrobenzene
CID 143874994
2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene
CID 63534889
1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 102948306
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetohydrazide
CID 3335299
[4-[[6-bromo-1-[6-bromo-2-[[4-(nitrosomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methanol
CID 171652153
2-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole
CID 19224790
N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 17055271

Frequently Asked Questions

What is the IUPAC name of 1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene?
The IUPAC name of 1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene (CID 134843780) is 1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene.
What is the SMILES notation for 1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene?
The canonical SMILES for 1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene is Cc1ccc(COc2ccc3cc(Br)ccc3c2Br)cc1.
What is the InChIKey of 1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene?
The InChIKey is OUKVHKCWBABQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Br2O/c1-12-2-4-13(5-3-12)11-21-17-9-6-14-10-15(19)7-8-16(14)18(17)20/h2-10H,11H2,1H3.
What are the key properties of 1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene?
1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene has a molecular weight of 406.12 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene is sourced from PubChem (CID 134843780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).