1-bromo-2-ethyl-5-methoxy-4-phenoxybenzene

C15H15BrO2 — CID 168868572

IUPAC1-bromo-2-ethyl-5-methoxy-4-phenoxybenzene
SMILESCCc1cc(Oc2ccccc2)c(OC)cc1Br
InChIInChI=1S/C15H15BrO2/c1-3-11-9-15(14(17-2)10-13(11)16)18-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChIKeyVXQCKLPPIGLRIE-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.81
Rot. Bonds4

About 1-bromo-2-ethyl-5-methoxy-4-phenoxybenzene

1-bromo-2-ethyl-5-methoxy-4-phenoxybenzene (PubChem CID 168868572) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-bromo-2-ethyl-5-methoxy-4-phenoxybenzene.

Molecular Properties

Compound Name1-bromo-2-ethyl-5-methoxy-4-phenoxybenzene
PubChem CID168868572
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name1-bromo-2-ethyl-5-methoxy-4-phenoxybenzene
SMILESCCc1cc(Oc2ccccc2)c(OC)cc1Br
InChIInChI=1S/C15H15BrO2/c1-3-11-9-15(14(17-2)10-13(11)16)18-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChIKeyVXQCKLPPIGLRIE-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl 3-(2-bromo-4,5-dimethoxyphenyl)propanoate
CID 1406363
1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene
CID 11419749
ethane;1-ethyl-2-methoxy-4-phenoxybenzene;propane
CID 142071231
(5Z)-5-[(2-bromo-4-methoxy-5-phenoxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 140897254
2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene
CID 114060623
1-bromo-5-tert-butyl-2-ethyl-4-methoxybenzene
CID 59309470
1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
CID 12062736
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-ethylphenyl)propanamide
CID 1406221
3-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzaldehyde
CID 9368529
1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene
CID 126540380
4,5-dimethoxy-2-phenoxyaniline
CID 83008509

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-ethyl-5-methoxy-4-phenoxybenzene?
The IUPAC name of 1-bromo-2-ethyl-5-methoxy-4-phenoxybenzene (CID 168868572) is 1-bromo-2-ethyl-5-methoxy-4-phenoxybenzene.
What is the SMILES notation for 1-bromo-2-ethyl-5-methoxy-4-phenoxybenzene?
The canonical SMILES for 1-bromo-2-ethyl-5-methoxy-4-phenoxybenzene is CCc1cc(Oc2ccccc2)c(OC)cc1Br.
What is the InChIKey of 1-bromo-2-ethyl-5-methoxy-4-phenoxybenzene?
The InChIKey is VXQCKLPPIGLRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-3-11-9-15(14(17-2)10-13(11)16)18-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3.
What are the key properties of 1-bromo-2-ethyl-5-methoxy-4-phenoxybenzene?
1-bromo-2-ethyl-5-methoxy-4-phenoxybenzene has a molecular weight of 307.19 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-ethyl-5-methoxy-4-phenoxybenzene is sourced from PubChem (CID 168868572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).