1-bromo-2-[(4-ethylphenyl)methyl]-4-methyl-5-propan-2-yloxybenzene;ethane

C21H29BrO — CID 143739328

IUPAC1-bromo-2-[(4-ethylphenyl)methyl]-4-methyl-5-propan-2-yloxybenzene;ethane
SMILESCC.CCc1ccc(Cc2cc(C)c(OC(C)C)cc2Br)cc1
InChIInChI=1S/C19H23BrO.C2H6/c1-5-15-6-8-16(9-7-15)11-17-10-14(4)19(12-18(17)20)21-13(2)3;1-2/h6-10,12-13H,5,11H2,1-4H3;1-2H3
InChIKeyBDKFOYQXIQTWJT-UHFFFAOYSA-N
MW377.37 g/mol
LogP6.72
Rot. Bonds5

About 1-bromo-2-[(4-ethylphenyl)methyl]-4-methyl-5-propan-2-yloxybenzene;ethane

1-bromo-2-[(4-ethylphenyl)methyl]-4-methyl-5-propan-2-yloxybenzene;ethane (PubChem CID 143739328) has the molecular formula C21H29BrO and a molecular weight of 377.37 g/mol. Its IUPAC name is 1-bromo-2-[(4-ethylphenyl)methyl]-4-methyl-5-propan-2-yloxybenzene;ethane.

Molecular Properties

Compound Name1-bromo-2-[(4-ethylphenyl)methyl]-4-methyl-5-propan-2-yloxybenzene;ethane
PubChem CID143739328
Molecular FormulaC21H29BrO
Molecular Weight377.37 g/mol
Exact Mass376.14
IUPAC Name1-bromo-2-[(4-ethylphenyl)methyl]-4-methyl-5-propan-2-yloxybenzene;ethane
SMILESCC.CCc1ccc(Cc2cc(C)c(OC(C)C)cc2Br)cc1
InChIInChI=1S/C19H23BrO.C2H6/c1-5-15-6-8-16(9-7-15)11-17-10-14(4)19(12-18(17)20)21-13(2)3;1-2/h6-10,12-13H,5,11H2,1-4H3;1-2H3
InChIKeyBDKFOYQXIQTWJT-UHFFFAOYSA-N
XLogP6.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.37
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-[(4-ethylphenyl)methyl]-4-methyl-5-methylsulfanylbenzene
CID 143739419
1-bromo-5-cyclobutyloxy-2-[(4-ethylphenyl)methyl]-4-iodobenzene
CID 69260330
1-bromo-4,5-dimethoxy-2-[(4-methylphenyl)methyl]benzene
CID 10495980
1-chloro-4-ethyl-2-propan-2-yloxybenzene;ethane
CID 143667993
1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene
CID 59243503
1-bromo-2-(2-iodoethyl)-5-methoxy-4-propan-2-yloxybenzene
CID 16638804
[2-bromo-5-chloro-4-[(4-ethylphenyl)methyl]phenyl]methoxy-trimethylsilane
CID 71680631
4-ethyl-2-propan-2-yloxyaniline
CID 91557957
2-[1-(4-ethylphenoxy)ethoxy]-1,4-dimethylbenzene
CID 69386639
N-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine
CID 98783598
1-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-N-methylmethanamine
CID 66533821
2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine
CID 117486828

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(4-ethylphenyl)methyl]-4-methyl-5-propan-2-yloxybenzene;ethane?
The IUPAC name of 1-bromo-2-[(4-ethylphenyl)methyl]-4-methyl-5-propan-2-yloxybenzene;ethane (CID 143739328) is 1-bromo-2-[(4-ethylphenyl)methyl]-4-methyl-5-propan-2-yloxybenzene;ethane.
What is the SMILES notation for 1-bromo-2-[(4-ethylphenyl)methyl]-4-methyl-5-propan-2-yloxybenzene;ethane?
The canonical SMILES for 1-bromo-2-[(4-ethylphenyl)methyl]-4-methyl-5-propan-2-yloxybenzene;ethane is CC.CCc1ccc(Cc2cc(C)c(OC(C)C)cc2Br)cc1.
What is the InChIKey of 1-bromo-2-[(4-ethylphenyl)methyl]-4-methyl-5-propan-2-yloxybenzene;ethane?
The InChIKey is BDKFOYQXIQTWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrO.C2H6/c1-5-15-6-8-16(9-7-15)11-17-10-14(4)19(12-18(17)20)21-13(2)3;1-2/h6-10,12-13H,5,11H2,1-4H3;1-2H3.
What are the key properties of 1-bromo-2-[(4-ethylphenyl)methyl]-4-methyl-5-propan-2-yloxybenzene;ethane?
1-bromo-2-[(4-ethylphenyl)methyl]-4-methyl-5-propan-2-yloxybenzene;ethane has a molecular weight of 377.37 g/mol, XLogP of 6.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(4-ethylphenyl)methyl]-4-methyl-5-propan-2-yloxybenzene;ethane is sourced from PubChem (CID 143739328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).