4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane

C17H21BrO — CID 144758228

IUPAC4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
SMILESCC.CCc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C15H15BrO.C2H6/c1-2-13-10-14(16)8-9-15(13)17-11-12-6-4-3-5-7-12;1-2/h3-10H,2,11H2,1H3;1-2H3
InChIKeyKWIOAZRGZJUMSD-UHFFFAOYSA-N
MW321.26 g/mol
LogP5.62
Rot. Bonds4

About 4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane

4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane (PubChem CID 144758228) has the molecular formula C17H21BrO and a molecular weight of 321.26 g/mol. Its IUPAC name is 4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane.

Molecular Properties

Compound Name4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
PubChem CID144758228
Molecular FormulaC17H21BrO
Molecular Weight321.26 g/mol
Exact Mass320.08
IUPAC Name4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
SMILESCC.CCc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C15H15BrO.C2H6/c1-2-13-10-14(16)8-9-15(13)17-11-12-6-4-3-5-7-12;1-2/h3-10H,2,11H2,1H3;1-2H3
InChIKeyKWIOAZRGZJUMSD-UHFFFAOYSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.26
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-bromo-2-ethylphenoxy)methyl]benzoic acid
CID 20984290
2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile
CID 22675467
(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid
CID 68634173
1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-ethylphenyl)ethanone
CID 161238238
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]hexan-1-amine
CID 4716809
3-ethyl-4-phenylmethoxybenzonitrile
CID 56984010
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 4715742
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
CID 17208055
propyl N-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]carbamate
CID 129163589
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530
1-[3-(5-bromo-2-phenylmethoxyphenyl)propyl]-4-methylpiperazine
CID 170863402
4-bromo-1-methylsulfonyl-2-phenylmethoxybenzene
CID 75487824

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane?
The IUPAC name of 4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane (CID 144758228) is 4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane.
What is the SMILES notation for 4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane?
The canonical SMILES for 4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane is CC.CCc1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of 4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane?
The InChIKey is KWIOAZRGZJUMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO.C2H6/c1-2-13-10-14(16)8-9-15(13)17-11-12-6-4-3-5-7-12;1-2/h3-10H,2,11H2,1H3;1-2H3.
What are the key properties of 4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane?
4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane has a molecular weight of 321.26 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane is sourced from PubChem (CID 144758228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).