2-bromo-6-[(3-bromophenyl)methoxy]naphthalene

C17H12Br2O — CID 7786828

IUPAC2-bromo-6-[(3-bromophenyl)methoxy]naphthalene
SMILESBrc1cccc(COc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C17H12Br2O/c18-15-3-1-2-12(8-15)11-20-17-7-5-13-9-16(19)6-4-14(13)10-17/h1-10H,11H2
InChIKeyFVWDCDJOLAUWHB-UHFFFAOYSA-N
MW392.09 g/mol
LogP5.94
Rot. Bonds3

About 2-bromo-6-[(3-bromophenyl)methoxy]naphthalene

2-bromo-6-[(3-bromophenyl)methoxy]naphthalene (PubChem CID 7786828) has the molecular formula C17H12Br2O and a molecular weight of 392.09 g/mol. Its IUPAC name is 2-bromo-6-[(3-bromophenyl)methoxy]naphthalene.

Molecular Properties

Compound Name2-bromo-6-[(3-bromophenyl)methoxy]naphthalene
PubChem CID7786828
Molecular FormulaC17H12Br2O
Molecular Weight392.09 g/mol
Exact Mass389.93
IUPAC Name2-bromo-6-[(3-bromophenyl)methoxy]naphthalene
SMILESBrc1cccc(COc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C17H12Br2O/c18-15-3-1-2-12(8-15)11-20-17-7-5-13-9-16(19)6-4-14(13)10-17/h1-10H,11H2
InChIKeyFVWDCDJOLAUWHB-UHFFFAOYSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.09
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-phenylmethoxynaphthalene
CID 640595
1-bromo-3-[(4-fluorophenoxy)methyl]benzene
CID 60643983
1-bromo-3-[(4-iodophenoxy)methyl]benzene
CID 60645515
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956
2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene
CID 60624731
1-bromo-3-[(3-ethylphenoxy)methyl]benzene
CID 60645294
1-bromo-3-[(4-propoxyphenoxy)methyl]benzene
CID 60645272
5-[(3-bromophenyl)methoxy]-2,3-dihydro-1H-indene
CID 60645315
[4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine
CID 63882074
4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107170182
2-[(6-bromonaphthalen-2-yl)oxymethyl]pyrimidine
CID 62698805
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880082

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(3-bromophenyl)methoxy]naphthalene?
The IUPAC name of 2-bromo-6-[(3-bromophenyl)methoxy]naphthalene (CID 7786828) is 2-bromo-6-[(3-bromophenyl)methoxy]naphthalene.
What is the SMILES notation for 2-bromo-6-[(3-bromophenyl)methoxy]naphthalene?
The canonical SMILES for 2-bromo-6-[(3-bromophenyl)methoxy]naphthalene is Brc1cccc(COc2ccc3cc(Br)ccc3c2)c1.
What is the InChIKey of 2-bromo-6-[(3-bromophenyl)methoxy]naphthalene?
The InChIKey is FVWDCDJOLAUWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2O/c18-15-3-1-2-12(8-15)11-20-17-7-5-13-9-16(19)6-4-14(13)10-17/h1-10H,11H2.
What are the key properties of 2-bromo-6-[(3-bromophenyl)methoxy]naphthalene?
2-bromo-6-[(3-bromophenyl)methoxy]naphthalene has a molecular weight of 392.09 g/mol, XLogP of 5.94, 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-bromophenyl)methoxy]naphthalene is sourced from PubChem (CID 7786828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).