2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene

C19H17BrO — CID 60624731

IUPAC2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene
SMILESCc1cc(C)cc(COc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C19H17BrO/c1-13-7-14(2)9-15(8-13)12-21-19-6-4-16-10-18(20)5-3-17(16)11-19/h3-11H,12H2,1-2H3
InChIKeyKIYWMMOPDLZNQC-UHFFFAOYSA-N
MW341.25 g/mol
LogP5.80
Rot. Bonds3

About 2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene

2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene (PubChem CID 60624731) has the molecular formula C19H17BrO and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene.

Molecular Properties

Compound Name2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene
PubChem CID60624731
Molecular FormulaC19H17BrO
Molecular Weight341.25 g/mol
Exact Mass340.05
IUPAC Name2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene
SMILESCc1cc(C)cc(COc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C19H17BrO/c1-13-7-14(2)9-15(8-13)12-21-19-6-4-16-10-18(20)5-3-17(16)11-19/h3-11H,12H2,1-2H3
InChIKeyKIYWMMOPDLZNQC-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

7-[(3,5-dimethylphenyl)methoxy]naphthalen-2-ol
CID 63549894
2-bromo-6-phenylmethoxynaphthalene
CID 640595
2-bromo-6-[(3-bromophenyl)methoxy]naphthalene
CID 7786828
2-(6-bromonaphthalen-2-yl)oxy-N-(3,5-dimethylphenyl)acetamide
CID 7786804
2-bromo-7-ethoxynaphthalene
CID 22240149
[4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine
CID 63882074
1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene
CID 60644543
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
2-bromo-6-(methoxymethoxy)naphthalene
CID 14499197
2-[(6-bromonaphthalen-2-yl)oxymethyl]pyrimidine
CID 62698805
1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-dimethylbenzene
CID 63536193
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene?
The IUPAC name of 2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene (CID 60624731) is 2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene.
What is the SMILES notation for 2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene?
The canonical SMILES for 2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene is Cc1cc(C)cc(COc2ccc3cc(Br)ccc3c2)c1.
What is the InChIKey of 2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene?
The InChIKey is KIYWMMOPDLZNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrO/c1-13-7-14(2)9-15(8-13)12-21-19-6-4-16-10-18(20)5-3-17(16)11-19/h3-11H,12H2,1-2H3.
What are the key properties of 2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene?
2-bromo-6-[(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 2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene is sourced from PubChem (CID 60624731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).