1-bromo-3-[(3-ethylphenoxy)methyl]benzene

C15H15BrO — CID 60645294

IUPAC1-bromo-3-[(3-ethylphenoxy)methyl]benzene
SMILESCCc1cccc(OCc2cccc(Br)c2)c1
InChIInChI=1S/C15H15BrO/c1-2-12-5-4-8-15(10-12)17-11-13-6-3-7-14(16)9-13/h3-10H,2,11H2,1H3
InChIKeyTYUYCEDYQFWPDB-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.59
Rot. Bonds4

About 1-bromo-3-[(3-ethylphenoxy)methyl]benzene

1-bromo-3-[(3-ethylphenoxy)methyl]benzene (PubChem CID 60645294) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-bromo-3-[(3-ethylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[(3-ethylphenoxy)methyl]benzene
PubChem CID60645294
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name1-bromo-3-[(3-ethylphenoxy)methyl]benzene
SMILESCCc1cccc(OCc2cccc(Br)c2)c1
InChIInChI=1S/C15H15BrO/c1-2-12-5-4-8-15(10-12)17-11-13-6-3-7-14(16)9-13/h3-10H,2,11H2,1H3
InChIKeyTYUYCEDYQFWPDB-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-ethylbenzene;ethane
CID 143778556
1-bromo-3-ethylbenzene;methane
CID 158533972
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
1-bromo-3-[(4-propoxyphenoxy)methyl]benzene
CID 60645272
1-[3-[(3-bromophenyl)methoxy]phenyl]propan-1-one
CID 114079103
4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene
CID 63457370
2-bromo-6-[(3-bromophenyl)methoxy]naphthalene
CID 7786828
1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene
CID 105409859
N-[[3-[(3-bromophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63057256
1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene
CID 63987057
4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107170182
1-[3-[(3-bromophenyl)methoxy]phenyl]-N-methylethanamine
CID 60883448

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(3-ethylphenoxy)methyl]benzene?
The IUPAC name of 1-bromo-3-[(3-ethylphenoxy)methyl]benzene (CID 60645294) is 1-bromo-3-[(3-ethylphenoxy)methyl]benzene.
What is the SMILES notation for 1-bromo-3-[(3-ethylphenoxy)methyl]benzene?
The canonical SMILES for 1-bromo-3-[(3-ethylphenoxy)methyl]benzene is CCc1cccc(OCc2cccc(Br)c2)c1.
What is the InChIKey of 1-bromo-3-[(3-ethylphenoxy)methyl]benzene?
The InChIKey is TYUYCEDYQFWPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO/c1-2-12-5-4-8-15(10-12)17-11-13-6-3-7-14(16)9-13/h3-10H,2,11H2,1H3.
What are the key properties of 1-bromo-3-[(3-ethylphenoxy)methyl]benzene?
1-bromo-3-[(3-ethylphenoxy)methyl]benzene has a molecular weight of 291.19 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(3-ethylphenoxy)methyl]benzene is sourced from PubChem (CID 60645294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).