2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene

C17H11BrCl2O — CID 60624704

IUPAC2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene
SMILESClc1ccc(COc2ccc3cc(Br)ccc3c2)c(Cl)c1
InChIInChI=1S/C17H11BrCl2O/c18-14-4-1-12-8-16(6-3-11(12)7-14)21-10-13-2-5-15(19)9-17(13)20/h1-9H,10H2
InChIKeyFSAYAVXYHZZILL-UHFFFAOYSA-N
MW382.08 g/mol
LogP6.49
Rot. Bonds3

About 2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene

2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene (PubChem CID 60624704) has the molecular formula C17H11BrCl2O and a molecular weight of 382.08 g/mol. Its IUPAC name is 2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene.

Molecular Properties

Compound Name2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene
PubChem CID60624704
Molecular FormulaC17H11BrCl2O
Molecular Weight382.08 g/mol
Exact Mass379.94
IUPAC Name2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene
SMILESClc1ccc(COc2ccc3cc(Br)ccc3c2)c(Cl)c1
InChIInChI=1S/C17H11BrCl2O/c18-14-4-1-12-8-16(6-3-11(12)7-14)21-10-13-2-5-15(19)9-17(13)20/h1-9H,10H2
InChIKeyFSAYAVXYHZZILL-UHFFFAOYSA-N
XLogP6.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.08
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(6-bromonaphthalen-2-yl)oxymethyl]-3-chloroaniline
CID 63458613
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene
CID 28981500
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 97046774
1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene
CID 60627955
2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile
CID 102724001
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724122
2-bromo-5-[(4-bromo-2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 107723768
(E)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 6278260
5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
CID 46779761
2-amino-5-[(4-bromo-2-chlorophenyl)methoxy]benzoic acid
CID 107077061
2-bromo-6-chloroanthracene
CID 22728523

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene?
The IUPAC name of 2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene (CID 60624704) is 2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene.
What is the SMILES notation for 2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene?
The canonical SMILES for 2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene is Clc1ccc(COc2ccc3cc(Br)ccc3c2)c(Cl)c1.
What is the InChIKey of 2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene?
The InChIKey is FSAYAVXYHZZILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2O/c18-14-4-1-12-8-16(6-3-11(12)7-14)21-10-13-2-5-15(19)9-17(13)20/h1-9H,10H2.
What are the key properties of 2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene?
2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene has a molecular weight of 382.08 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene is sourced from PubChem (CID 60624704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).