2-(2-tert-butylcyclopenta-1,3-dien-1-yl)oxy-1,3-dichlorobenzene

C15H16Cl2O — CID 175728992

IUPAC2-(2-tert-butylcyclopenta-1,3-dien-1-yl)oxy-1,3-dichlorobenzene
SMILESCC(C)(C)C1=C(Oc2c(Cl)cccc2Cl)CC=C1
InChIInChI=1S/C15H16Cl2O/c1-15(2,3)10-6-4-9-13(10)18-14-11(16)7-5-8-12(14)17/h4-8H,9H2,1-3H3
InChIKeyRUMJCIPTIKQEJM-UHFFFAOYSA-N
MW283.20 g/mol
LogP5.63
Rot. Bonds2

About 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)oxy-1,3-dichlorobenzene

2-(2-tert-butylcyclopenta-1,3-dien-1-yl)oxy-1,3-dichlorobenzene (PubChem CID 175728992) has the molecular formula C15H16Cl2O and a molecular weight of 283.20 g/mol. Its IUPAC name is 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)oxy-1,3-dichlorobenzene.

Molecular Properties

Compound Name2-(2-tert-butylcyclopenta-1,3-dien-1-yl)oxy-1,3-dichlorobenzene
PubChem CID175728992
Molecular FormulaC15H16Cl2O
Molecular Weight283.20 g/mol
Exact Mass282.06
IUPAC Name2-(2-tert-butylcyclopenta-1,3-dien-1-yl)oxy-1,3-dichlorobenzene
SMILESCC(C)(C)C1=C(Oc2c(Cl)cccc2Cl)CC=C1
InChIInChI=1S/C15H16Cl2O/c1-15(2,3)10-6-4-9-13(10)18-14-11(16)7-5-8-12(14)17/h4-8H,9H2,1-3H3
InChIKeyRUMJCIPTIKQEJM-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.20
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)oxy-1,3-dichlorobenzene?
The IUPAC name of 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)oxy-1,3-dichlorobenzene (CID 175728992) is 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)oxy-1,3-dichlorobenzene.
What is the SMILES notation for 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)oxy-1,3-dichlorobenzene?
The canonical SMILES for 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)oxy-1,3-dichlorobenzene is CC(C)(C)C1=C(Oc2c(Cl)cccc2Cl)CC=C1.
What is the InChIKey of 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)oxy-1,3-dichlorobenzene?
The InChIKey is RUMJCIPTIKQEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2O/c1-15(2,3)10-6-4-9-13(10)18-14-11(16)7-5-8-12(14)17/h4-8H,9H2,1-3H3.
What are the key properties of 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)oxy-1,3-dichlorobenzene?
2-(2-tert-butylcyclopenta-1,3-dien-1-yl)oxy-1,3-dichlorobenzene has a molecular weight of 283.20 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)oxy-1,3-dichlorobenzene is sourced from PubChem (CID 175728992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).