1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene

C19H17BrO — CID 60623254

IUPAC1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene
SMILESCc1cc(C)cc(COc2ccc3ccccc3c2Br)c1
InChIInChI=1S/C19H17BrO/c1-13-9-14(2)11-15(10-13)12-21-18-8-7-16-5-3-4-6-17(16)19(18)20/h3-11H,12H2,1-2H3
InChIKeyXXHWHXIUXUKVMA-UHFFFAOYSA-N
MW341.25 g/mol
LogP5.80
Rot. Bonds3

About 1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene

1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene (PubChem CID 60623254) has the molecular formula C19H17BrO and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene.

Molecular Properties

Compound Name1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene
PubChem CID60623254
Molecular FormulaC19H17BrO
Molecular Weight341.25 g/mol
Exact Mass340.05
IUPAC Name1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene
SMILESCc1cc(C)cc(COc2ccc3ccccc3c2Br)c1
InChIInChI=1S/C19H17BrO/c1-13-9-14(2)11-15(10-13)12-21-18-8-7-16-5-3-4-6-17(16)19(18)20/h3-11H,12H2,1-2H3
InChIKeyXXHWHXIUXUKVMA-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.25
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-[(3-methylphenyl)methoxy]naphthalene
CID 60623253
1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene
CID 78909521
1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene
CID 134843780
3-[(1-bromonaphthalen-2-yl)oxymethyl]benzonitrile
CID 60623214
5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloroaniline
CID 63460675
5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine
CID 63480626
4-[(1-bromonaphthalen-2-yl)oxymethyl]-1,2-oxazole
CID 54910825
1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene
CID 59168529
1-[[2-bromo-4-(bromomethyl)phenoxy]methyl]-3,5-dimethylbenzene
CID 63534399
5-[(1-bromonaphthalen-2-yl)oxymethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17380532
1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene
CID 102526122
[2-[(1-bromonaphthalen-2-yl)oxymethyl]-4-pyridinyl]hydrazine
CID 79262180

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene?
The IUPAC name of 1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene (CID 60623254) is 1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene.
What is the SMILES notation for 1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene?
The canonical SMILES for 1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene is Cc1cc(C)cc(COc2ccc3ccccc3c2Br)c1.
What is the InChIKey of 1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene?
The InChIKey is XXHWHXIUXUKVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrO/c1-13-9-14(2)11-15(10-13)12-21-18-8-7-16-5-3-4-6-17(16)19(18)20/h3-11H,12H2,1-2H3.
What are the key properties of 1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene?
1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene has a molecular weight of 341.25 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene is sourced from PubChem (CID 60623254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).