1-bromo-3-(2-ethylhexoxy)-2-phenylbenzene

C20H25BrO — CID 172726737

IUPAC1-bromo-3-(2-ethylhexoxy)-2-phenylbenzene
SMILESCCCCC(CC)COc1cccc(Br)c1-c1ccccc1
InChIInChI=1S/C20H25BrO/c1-3-5-10-16(4-2)15-22-19-14-9-13-18(21)20(19)17-11-7-6-8-12-17/h6-9,11-14,16H,3-5,10,15H2,1-2H3
InChIKeyHGCASFLJQULJBN-UHFFFAOYSA-N
MW361.32 g/mol
LogP6.71
Rot. Bonds8

About 1-bromo-3-(2-ethylhexoxy)-2-phenylbenzene

1-bromo-3-(2-ethylhexoxy)-2-phenylbenzene (PubChem CID 172726737) has the molecular formula C20H25BrO and a molecular weight of 361.32 g/mol. Its IUPAC name is 1-bromo-3-(2-ethylhexoxy)-2-phenylbenzene.

Molecular Properties

Compound Name1-bromo-3-(2-ethylhexoxy)-2-phenylbenzene
PubChem CID172726737
Molecular FormulaC20H25BrO
Molecular Weight361.32 g/mol
Exact Mass360.11
IUPAC Name1-bromo-3-(2-ethylhexoxy)-2-phenylbenzene
SMILESCCCCC(CC)COc1cccc(Br)c1-c1ccccc1
InChIInChI=1S/C20H25BrO/c1-3-5-10-16(4-2)15-22-19-14-9-13-18(21)20(19)17-11-7-6-8-12-17/h6-9,11-14,16H,3-5,10,15H2,1-2H3
InChIKeyHGCASFLJQULJBN-UHFFFAOYSA-N
XLogP6.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.32
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethylhexoxy)-2-[2-(2-ethylhexoxy)-6-methylphenyl]-3-methylbenzene
CID 21028375
1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
CID 71351015
1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene
CID 86054724
1-(2-ethylhexoxy)-2-iodobenzene
CID 63531465
(1R)-1-[2-(2-ethylhexoxy)phenyl]propan-1-amine
CID 78944050
[3-bromo-4-(2-ethylhexoxy)phenyl]methanol
CID 63533684
4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene
CID 169014033
CID 174954511
CID 174954511
1-bromo-2-(4-ethylhexoxy)benzene
CID 141091967
1-[(E)-2-(4-bromophenyl)ethenyl]-5-[(2S)-2-ethylhexoxy]-2-[(2R)-2-ethylhexoxy]-4-[(E)-2-phenylethenyl]benzene
CID 135816764
CID 151703747
CID 151703747
2-(2-bromophenyl)-2-(2-ethylhexoxy)ethanamine
CID 55191674

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-ethylhexoxy)-2-phenylbenzene?
The IUPAC name of 1-bromo-3-(2-ethylhexoxy)-2-phenylbenzene (CID 172726737) is 1-bromo-3-(2-ethylhexoxy)-2-phenylbenzene.
What is the SMILES notation for 1-bromo-3-(2-ethylhexoxy)-2-phenylbenzene?
The canonical SMILES for 1-bromo-3-(2-ethylhexoxy)-2-phenylbenzene is CCCCC(CC)COc1cccc(Br)c1-c1ccccc1.
What is the InChIKey of 1-bromo-3-(2-ethylhexoxy)-2-phenylbenzene?
The InChIKey is HGCASFLJQULJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrO/c1-3-5-10-16(4-2)15-22-19-14-9-13-18(21)20(19)17-11-7-6-8-12-17/h6-9,11-14,16H,3-5,10,15H2,1-2H3.
What are the key properties of 1-bromo-3-(2-ethylhexoxy)-2-phenylbenzene?
1-bromo-3-(2-ethylhexoxy)-2-phenylbenzene has a molecular weight of 361.32 g/mol, XLogP of 6.71, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-ethylhexoxy)-2-phenylbenzene is sourced from PubChem (CID 172726737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).