(2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone

C17H17BrO2 — CID 81110926

IUPAC(2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
SMILESCCOc1ccc(C)cc1C(=O)c1cc(C)ccc1Br
InChIInChI=1S/C17H17BrO2/c1-4-20-16-8-6-12(3)10-14(16)17(19)13-9-11(2)5-7-15(13)18/h5-10H,4H2,1-3H3
InChIKeyACIMAHFUSBXHNJ-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.70
Rot. Bonds4

About (2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone

(2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone (PubChem CID 81110926) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
PubChem CID81110926
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name(2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
SMILESCCOc1ccc(C)cc1C(=O)c1cc(C)ccc1Br
InChIInChI=1S/C17H17BrO2/c1-4-20-16-8-6-12(3)10-14(16)17(19)13-9-11(2)5-7-15(13)18/h5-10H,4H2,1-3H3
InChIKeyACIMAHFUSBXHNJ-UHFFFAOYSA-N
XLogP4.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496404
(4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone
CID 80536132
(5-bromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496583
(5-chlorofuran-2-yl)-(2-ethoxy-5-methylphenyl)methanone
CID 106683820
(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 104656758
(3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 107096172
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
(2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone
CID 81467462
3-bromo-4-(2-ethoxy-5-methylphenyl)-4-oxobutanoic acid
CID 79785893
2-[2-(2-bromobenzoyl)-4-methylphenoxy]acetohydrazide
CID 86038173
(2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone
CID 115000096

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone?
The IUPAC name of (2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone (CID 81110926) is (2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone?
The canonical SMILES for (2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone is CCOc1ccc(C)cc1C(=O)c1cc(C)ccc1Br.
What is the InChIKey of (2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone?
The InChIKey is ACIMAHFUSBXHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-4-20-16-8-6-12(3)10-14(16)17(19)13-9-11(2)5-7-15(13)18/h5-10H,4H2,1-3H3.
What are the key properties of (2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone?
(2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone has a molecular weight of 333.23 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone is sourced from PubChem (CID 81110926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).