2-[(3-bromophenyl)methyl]-1-ethyl-3-propylbenzene

C18H21Br — CID 177030502

IUPAC2-[(3-bromophenyl)methyl]-1-ethyl-3-propylbenzene
SMILESCCCc1cccc(CC)c1Cc1cccc(Br)c1
InChIInChI=1S/C18H21Br/c1-3-7-16-10-6-9-15(4-2)18(16)13-14-8-5-11-17(19)12-14/h5-6,8-12H,3-4,7,13H2,1-2H3
InChIKeyYODUTDKQTXBGOM-UHFFFAOYSA-N
MW317.27 g/mol
LogP5.55
Rot. Bonds5

About 2-[(3-bromophenyl)methyl]-1-ethyl-3-propylbenzene

2-[(3-bromophenyl)methyl]-1-ethyl-3-propylbenzene (PubChem CID 177030502) has the molecular formula C18H21Br and a molecular weight of 317.27 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-1-ethyl-3-propylbenzene.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-1-ethyl-3-propylbenzene
PubChem CID177030502
Molecular FormulaC18H21Br
Molecular Weight317.27 g/mol
Exact Mass316.08
IUPAC Name2-[(3-bromophenyl)methyl]-1-ethyl-3-propylbenzene
SMILESCCCc1cccc(CC)c1Cc1cccc(Br)c1
InChIInChI=1S/C18H21Br/c1-3-7-16-10-6-9-15(4-2)18(16)13-14-8-5-11-17(19)12-14/h5-6,8-12H,3-4,7,13H2,1-2H3
InChIKeyYODUTDKQTXBGOM-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.27
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-3-ethylbenzene;ethane
CID 143778556
1-bromo-3-ethylbenzene;methane
CID 158533972
2-bromo-1-[(3-bromophenyl)methyl]-3-methylbenzene
CID 123745360
1-benzyl-2,3-dipropylbenzene
CID 22920914
CID 160937062
CID 160937062
1-bromo-3-[2-(chloromethyl)-2-methylbutyl]benzene
CID 66036761
1-ethyl-3-pentyl-2-propylbenzene
CID 173025863
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
1,3-diethyl-2-(2-phenylethyl)benzene
CID 14325369
2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone
CID 60797716
2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100698808
2-(3-bromophenyl)acetate
CID 3608673

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-1-ethyl-3-propylbenzene?
The IUPAC name of 2-[(3-bromophenyl)methyl]-1-ethyl-3-propylbenzene (CID 177030502) is 2-[(3-bromophenyl)methyl]-1-ethyl-3-propylbenzene.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-1-ethyl-3-propylbenzene?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-1-ethyl-3-propylbenzene is CCCc1cccc(CC)c1Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-1-ethyl-3-propylbenzene?
The InChIKey is YODUTDKQTXBGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Br/c1-3-7-16-10-6-9-15(4-2)18(16)13-14-8-5-11-17(19)12-14/h5-6,8-12H,3-4,7,13H2,1-2H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-1-ethyl-3-propylbenzene?
2-[(3-bromophenyl)methyl]-1-ethyl-3-propylbenzene has a molecular weight of 317.27 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-1-ethyl-3-propylbenzene is sourced from PubChem (CID 177030502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).