1-bromo-2-[2-(4-methylphenyl)ethoxy]benzene

C15H15BrO — CID 82094276

IUPAC1-bromo-2-[2-(4-methylphenyl)ethoxy]benzene
SMILESCc1ccc(CCOc2ccccc2Br)cc1
InChIInChI=1S/C15H15BrO/c1-12-6-8-13(9-7-12)10-11-17-15-5-3-2-4-14(15)16/h2-9H,10-11H2,1H3
InChIKeyBLDNUBXRWSUYCA-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.38
Rot. Bonds4

About 1-bromo-2-[2-(4-methylphenyl)ethoxy]benzene

1-bromo-2-[2-(4-methylphenyl)ethoxy]benzene (PubChem CID 82094276) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-bromo-2-[2-(4-methylphenyl)ethoxy]benzene.

Molecular Properties

Compound Name1-bromo-2-[2-(4-methylphenyl)ethoxy]benzene
PubChem CID82094276
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name1-bromo-2-[2-(4-methylphenyl)ethoxy]benzene
SMILESCc1ccc(CCOc2ccccc2Br)cc1
InChIInChI=1S/C15H15BrO/c1-12-6-8-13(9-7-12)10-11-17-15-5-3-2-4-14(15)16/h2-9H,10-11H2,1H3
InChIKeyBLDNUBXRWSUYCA-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54804431
[3-bromo-4-(2-phenylethoxy)phenyl]methanol
CID 63050620
1-bromo-2-(3-chloropropoxy)benzene
CID 22048648
1-bromo-2-(3,3-dimethylbutoxy)benzene
CID 63530273
1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
CID 174678575
1-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]-2-methoxy-4-methylbenzene
CID 2283053
2-fluoro-6-[2-(4-methylphenyl)ethoxy]benzonitrile
CID 66924061
1-(bromomethyl)-4-[2-(4-methylphenyl)ethoxy]benzene
CID 59435282
2-(2-bromophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 68827135
[3-bromo-4-(2-phenylethoxy)phenyl]methanamine;hydrochloride
CID 139210923
1-bromo-2-(3-phenoxypropoxy)benzene
CID 60665314
1-bromo-2-(4-phenoxybutoxy)benzene
CID 54285155

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[2-(4-methylphenyl)ethoxy]benzene?
The IUPAC name of 1-bromo-2-[2-(4-methylphenyl)ethoxy]benzene (CID 82094276) is 1-bromo-2-[2-(4-methylphenyl)ethoxy]benzene.
What is the SMILES notation for 1-bromo-2-[2-(4-methylphenyl)ethoxy]benzene?
The canonical SMILES for 1-bromo-2-[2-(4-methylphenyl)ethoxy]benzene is Cc1ccc(CCOc2ccccc2Br)cc1.
What is the InChIKey of 1-bromo-2-[2-(4-methylphenyl)ethoxy]benzene?
The InChIKey is BLDNUBXRWSUYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO/c1-12-6-8-13(9-7-12)10-11-17-15-5-3-2-4-14(15)16/h2-9H,10-11H2,1H3.
What are the key properties of 1-bromo-2-[2-(4-methylphenyl)ethoxy]benzene?
1-bromo-2-[2-(4-methylphenyl)ethoxy]benzene has a molecular weight of 291.19 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[2-(4-methylphenyl)ethoxy]benzene is sourced from PubChem (CID 82094276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).