2-bromo-6-phenylmethoxynaphthalene

C17H13BrO — CID 640595

IUPAC2-bromo-6-phenylmethoxynaphthalene
SMILESBrc1ccc2cc(OCc3ccccc3)ccc2c1
InChIInChI=1S/C17H13BrO/c18-16-8-6-15-11-17(9-7-14(15)10-16)19-12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyQVVBDTXZESAKDU-UHFFFAOYSA-N
MW313.19 g/mol
LogP5.18
Rot. Bonds3

About 2-bromo-6-phenylmethoxynaphthalene

2-bromo-6-phenylmethoxynaphthalene (PubChem CID 640595) has the molecular formula C17H13BrO and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-bromo-6-phenylmethoxynaphthalene.

Molecular Properties

Compound Name2-bromo-6-phenylmethoxynaphthalene
PubChem CID640595
Molecular FormulaC17H13BrO
Molecular Weight313.19 g/mol
Exact Mass312.01
IUPAC Name2-bromo-6-phenylmethoxynaphthalene
SMILESBrc1ccc2cc(OCc3ccccc3)ccc2c1
InChIInChI=1S/C17H13BrO/c18-16-8-6-15-11-17(9-7-14(15)10-16)19-12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyQVVBDTXZESAKDU-UHFFFAOYSA-N
XLogP5.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.19
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-[(3-bromophenyl)methoxy]naphthalene
CID 7786828
2-[(6-bromonaphthalen-2-yl)oxymethyl]pyrimidine
CID 62698805
2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene
CID 60624731
2-methyl-7-phenylmethoxynaphthalene
CID 90146760
6-bromo-2-(4-phenylmethoxyphenoxy)quinoline
CID 141463365
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
2-tert-butyl-7-phenylmethoxynaphthalene
CID 146249475
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
6-phenylmethoxyisoquinolin-3-amine
CID 71742578
5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran
CID 19918528
methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate
CID 166501120
1-bromo-3-(4-phenylmethoxyphenoxy)benzene
CID 44818238

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-phenylmethoxynaphthalene?
The IUPAC name of 2-bromo-6-phenylmethoxynaphthalene (CID 640595) is 2-bromo-6-phenylmethoxynaphthalene.
What is the SMILES notation for 2-bromo-6-phenylmethoxynaphthalene?
The canonical SMILES for 2-bromo-6-phenylmethoxynaphthalene is Brc1ccc2cc(OCc3ccccc3)ccc2c1.
What is the InChIKey of 2-bromo-6-phenylmethoxynaphthalene?
The InChIKey is QVVBDTXZESAKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO/c18-16-8-6-15-11-17(9-7-14(15)10-16)19-12-13-4-2-1-3-5-13/h1-11H,12H2.
What are the key properties of 2-bromo-6-phenylmethoxynaphthalene?
2-bromo-6-phenylmethoxynaphthalene has a molecular weight of 313.19 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-phenylmethoxynaphthalene is sourced from PubChem (CID 640595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).