2-(5-bromo-2-methylphenyl)-1-chloro-3-propan-2-yloxybenzene;ethene

C18H20BrClO — CID 144574566

IUPAC2-(5-bromo-2-methylphenyl)-1-chloro-3-propan-2-yloxybenzene;ethene
SMILESC=C.Cc1ccc(Br)cc1-c1c(Cl)cccc1OC(C)C
InChIInChI=1S/C16H16BrClO.C2H4/c1-10(2)19-15-6-4-5-14(18)16(15)13-9-12(17)8-7-11(13)3;1-2/h4-10H,1-3H3;1-2H2
InChIKeyFIVITFGTYOBHCR-UHFFFAOYSA-N
MW367.71 g/mol
LogP6.67
Rot. Bonds3

About 2-(5-bromo-2-methylphenyl)-1-chloro-3-propan-2-yloxybenzene;ethene

2-(5-bromo-2-methylphenyl)-1-chloro-3-propan-2-yloxybenzene;ethene (PubChem CID 144574566) has the molecular formula C18H20BrClO and a molecular weight of 367.71 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenyl)-1-chloro-3-propan-2-yloxybenzene;ethene.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenyl)-1-chloro-3-propan-2-yloxybenzene;ethene
PubChem CID144574566
Molecular FormulaC18H20BrClO
Molecular Weight367.71 g/mol
Exact Mass366.04
IUPAC Name2-(5-bromo-2-methylphenyl)-1-chloro-3-propan-2-yloxybenzene;ethene
SMILESC=C.Cc1ccc(Br)cc1-c1c(Cl)cccc1OC(C)C
InChIInChI=1S/C16H16BrClO.C2H4/c1-10(2)19-15-6-4-5-14(18)16(15)13-9-12(17)8-7-11(13)3;1-2/h4-10H,1-3H3;1-2H2
InChIKeyFIVITFGTYOBHCR-UHFFFAOYSA-N
XLogP6.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.71
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenyl)-1-chloro-3-propan-2-yloxybenzene;ethene?
The IUPAC name of 2-(5-bromo-2-methylphenyl)-1-chloro-3-propan-2-yloxybenzene;ethene (CID 144574566) is 2-(5-bromo-2-methylphenyl)-1-chloro-3-propan-2-yloxybenzene;ethene.
What is the SMILES notation for 2-(5-bromo-2-methylphenyl)-1-chloro-3-propan-2-yloxybenzene;ethene?
The canonical SMILES for 2-(5-bromo-2-methylphenyl)-1-chloro-3-propan-2-yloxybenzene;ethene is C=C.Cc1ccc(Br)cc1-c1c(Cl)cccc1OC(C)C.
What is the InChIKey of 2-(5-bromo-2-methylphenyl)-1-chloro-3-propan-2-yloxybenzene;ethene?
The InChIKey is FIVITFGTYOBHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO.C2H4/c1-10(2)19-15-6-4-5-14(18)16(15)13-9-12(17)8-7-11(13)3;1-2/h4-10H,1-3H3;1-2H2.
What are the key properties of 2-(5-bromo-2-methylphenyl)-1-chloro-3-propan-2-yloxybenzene;ethene?
2-(5-bromo-2-methylphenyl)-1-chloro-3-propan-2-yloxybenzene;ethene has a molecular weight of 367.71 g/mol, XLogP of 6.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenyl)-1-chloro-3-propan-2-yloxybenzene;ethene is sourced from PubChem (CID 144574566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).