1-[bromo-(2-ethoxyphenyl)methyl]-4-methoxybenzene

C16H17BrO2 — CID 12875474

IUPAC1-[bromo-(2-ethoxyphenyl)methyl]-4-methoxybenzene
SMILESCCOc1ccccc1C(Br)c1ccc(OC)cc1
InChIInChI=1S/C16H17BrO2/c1-3-19-15-7-5-4-6-14(15)16(17)12-8-10-13(18-2)11-9-12/h4-11,16H,3H2,1-2H3
InChIKeyWPGAMJYJGYPXPN-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.58
Rot. Bonds5

About 1-[bromo-(2-ethoxyphenyl)methyl]-4-methoxybenzene

1-[bromo-(2-ethoxyphenyl)methyl]-4-methoxybenzene (PubChem CID 12875474) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 1-[bromo-(2-ethoxyphenyl)methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[bromo-(2-ethoxyphenyl)methyl]-4-methoxybenzene
PubChem CID12875474
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name1-[bromo-(2-ethoxyphenyl)methyl]-4-methoxybenzene
SMILESCCOc1ccccc1C(Br)c1ccc(OC)cc1
InChIInChI=1S/C16H17BrO2/c1-3-19-15-7-5-4-6-14(15)16(17)12-8-10-13(18-2)11-9-12/h4-11,16H,3H2,1-2H3
InChIKeyWPGAMJYJGYPXPN-UHFFFAOYSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[bromo-(2-ethoxyphenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83047614
1-[bromo-(2-ethoxyphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 63443200
2-[bromo-(2-ethoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 63434940
1-[bromo-(4-methoxyphenyl)methyl]-2-methylsulfanylbenzene
CID 79217010
1-[bromo-(4-butylphenyl)methyl]-2-methoxybenzene
CID 63440181
(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
CID 43197136
1-[bromo-(4-methoxyphenyl)methyl]-2,3-dimethylbenzene
CID 55198176
1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115533560
(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine
CID 43197204
2-[bromo-(2-ethoxyphenyl)methyl]-5-ethylthiophene
CID 63439318
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61097281

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2-ethoxyphenyl)methyl]-4-methoxybenzene?
The IUPAC name of 1-[bromo-(2-ethoxyphenyl)methyl]-4-methoxybenzene (CID 12875474) is 1-[bromo-(2-ethoxyphenyl)methyl]-4-methoxybenzene.
What is the SMILES notation for 1-[bromo-(2-ethoxyphenyl)methyl]-4-methoxybenzene?
The canonical SMILES for 1-[bromo-(2-ethoxyphenyl)methyl]-4-methoxybenzene is CCOc1ccccc1C(Br)c1ccc(OC)cc1.
What is the InChIKey of 1-[bromo-(2-ethoxyphenyl)methyl]-4-methoxybenzene?
The InChIKey is WPGAMJYJGYPXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-3-19-15-7-5-4-6-14(15)16(17)12-8-10-13(18-2)11-9-12/h4-11,16H,3H2,1-2H3.
What are the key properties of 1-[bromo-(2-ethoxyphenyl)methyl]-4-methoxybenzene?
1-[bromo-(2-ethoxyphenyl)methyl]-4-methoxybenzene has a molecular weight of 321.21 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2-ethoxyphenyl)methyl]-4-methoxybenzene is sourced from PubChem (CID 12875474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).