1-bromo-8-(2-methoxynaphthalen-1-yl)naphthalene

C21H15BrO — CID 71442464

IUPAC1-bromo-8-(2-methoxynaphthalen-1-yl)naphthalene
SMILESCOc1ccc2ccccc2c1-c1cccc2cccc(Br)c12
InChIInChI=1S/C21H15BrO/c1-23-19-13-12-14-6-2-3-9-16(14)21(19)17-10-4-7-15-8-5-11-18(22)20(15)17/h2-13H,1H3
InChIKeyXZHNTLOKPXDXCM-UHFFFAOYSA-N
MW363.25 g/mol
LogP6.43
Rot. Bonds2

About 1-bromo-8-(2-methoxynaphthalen-1-yl)naphthalene

1-bromo-8-(2-methoxynaphthalen-1-yl)naphthalene (PubChem CID 71442464) has the molecular formula C21H15BrO and a molecular weight of 363.25 g/mol. Its IUPAC name is 1-bromo-8-(2-methoxynaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name1-bromo-8-(2-methoxynaphthalen-1-yl)naphthalene
PubChem CID71442464
Molecular FormulaC21H15BrO
Molecular Weight363.25 g/mol
Exact Mass362.03
IUPAC Name1-bromo-8-(2-methoxynaphthalen-1-yl)naphthalene
SMILESCOc1ccc2ccccc2c1-c1cccc2cccc(Br)c12
InChIInChI=1S/C21H15BrO/c1-23-19-13-12-14-6-2-3-9-16(14)21(19)17-10-4-7-15-8-5-11-18(22)20(15)17/h2-13H,1H3
InChIKeyXZHNTLOKPXDXCM-UHFFFAOYSA-N
XLogP6.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.25
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-(2-methoxynaphthalen-1-yl)naphthalene?
The IUPAC name of 1-bromo-8-(2-methoxynaphthalen-1-yl)naphthalene (CID 71442464) is 1-bromo-8-(2-methoxynaphthalen-1-yl)naphthalene.
What is the SMILES notation for 1-bromo-8-(2-methoxynaphthalen-1-yl)naphthalene?
The canonical SMILES for 1-bromo-8-(2-methoxynaphthalen-1-yl)naphthalene is COc1ccc2ccccc2c1-c1cccc2cccc(Br)c12.
What is the InChIKey of 1-bromo-8-(2-methoxynaphthalen-1-yl)naphthalene?
The InChIKey is XZHNTLOKPXDXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrO/c1-23-19-13-12-14-6-2-3-9-16(14)21(19)17-10-4-7-15-8-5-11-18(22)20(15)17/h2-13H,1H3.
What are the key properties of 1-bromo-8-(2-methoxynaphthalen-1-yl)naphthalene?
1-bromo-8-(2-methoxynaphthalen-1-yl)naphthalene has a molecular weight of 363.25 g/mol, XLogP of 6.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-(2-methoxynaphthalen-1-yl)naphthalene is sourced from PubChem (CID 71442464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).