1-bromo-2-[(3-methylphenyl)methoxy]naphthalene

C18H15BrO — CID 60623253

IUPAC1-bromo-2-[(3-methylphenyl)methoxy]naphthalene
SMILESCc1cccc(COc2ccc3ccccc3c2Br)c1
InChIInChI=1S/C18H15BrO/c1-13-5-4-6-14(11-13)12-20-17-10-9-15-7-2-3-8-16(15)18(17)19/h2-11H,12H2,1H3
InChIKeyIXDRWYVCYQVKIV-UHFFFAOYSA-N
MW327.22 g/mol
LogP5.49
Rot. Bonds3

About 1-bromo-2-[(3-methylphenyl)methoxy]naphthalene

1-bromo-2-[(3-methylphenyl)methoxy]naphthalene (PubChem CID 60623253) has the molecular formula C18H15BrO and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-bromo-2-[(3-methylphenyl)methoxy]naphthalene.

Molecular Properties

Compound Name1-bromo-2-[(3-methylphenyl)methoxy]naphthalene
PubChem CID60623253
Molecular FormulaC18H15BrO
Molecular Weight327.22 g/mol
Exact Mass326.03
IUPAC Name1-bromo-2-[(3-methylphenyl)methoxy]naphthalene
SMILESCc1cccc(COc2ccc3ccccc3c2Br)c1
InChIInChI=1S/C18H15BrO/c1-13-5-4-6-14(11-13)12-20-17-10-9-15-7-2-3-8-16(15)18(17)19/h2-11H,12H2,1H3
InChIKeyIXDRWYVCYQVKIV-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.22
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene
CID 60623254
2-[(3-methylphenyl)methoxy]-1-phenylnaphthalene
CID 132584959
3-[(1-bromonaphthalen-2-yl)oxymethyl]benzonitrile
CID 60623214
1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene
CID 78909521
5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloroaniline
CID 63460675
1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene
CID 134843780
5-methyl-2-[(3-methylphenyl)methoxy]phenol
CID 82051938
1,2,4-tris[(3-methylphenyl)methoxy]benzene
CID 139941740
4-[[2-[(3-methylphenyl)methoxy]naphthalen-1-yl]methylamino]-4-oxobutanoic acid
CID 20986156
5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine
CID 63480626
4-[(1-bromonaphthalen-2-yl)oxymethyl]-1,2-oxazole
CID 54910825
1-bromo-2-(naphthalen-1-yloxymethoxy)naphthalene
CID 102526122

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(3-methylphenyl)methoxy]naphthalene?
The IUPAC name of 1-bromo-2-[(3-methylphenyl)methoxy]naphthalene (CID 60623253) is 1-bromo-2-[(3-methylphenyl)methoxy]naphthalene.
What is the SMILES notation for 1-bromo-2-[(3-methylphenyl)methoxy]naphthalene?
The canonical SMILES for 1-bromo-2-[(3-methylphenyl)methoxy]naphthalene is Cc1cccc(COc2ccc3ccccc3c2Br)c1.
What is the InChIKey of 1-bromo-2-[(3-methylphenyl)methoxy]naphthalene?
The InChIKey is IXDRWYVCYQVKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO/c1-13-5-4-6-14(11-13)12-20-17-10-9-15-7-2-3-8-16(15)18(17)19/h2-11H,12H2,1H3.
What are the key properties of 1-bromo-2-[(3-methylphenyl)methoxy]naphthalene?
1-bromo-2-[(3-methylphenyl)methoxy]naphthalene has a molecular weight of 327.22 g/mol, XLogP of 5.49, 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-methylphenyl)methoxy]naphthalene is sourced from PubChem (CID 60623253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).