6-(4-tert-butylphenyl)-1-chlorodibenzofuran

C22H19ClO — CID 176607720

IUPAC6-(4-tert-butylphenyl)-1-chlorodibenzofuran
SMILESCC(C)(C)c1ccc(-c2cccc3c2oc2cccc(Cl)c23)cc1
InChIInChI=1S/C22H19ClO/c1-22(2,3)15-12-10-14(11-13-15)16-6-4-7-17-20-18(23)8-5-9-19(20)24-21(16)17/h4-13H,1-3H3
InChIKeyKZWSYVGRFREXSM-UHFFFAOYSA-N
MW334.85 g/mol
LogP7.20
Rot. Bonds1

About 6-(4-tert-butylphenyl)-1-chlorodibenzofuran

6-(4-tert-butylphenyl)-1-chlorodibenzofuran (PubChem CID 176607720) has the molecular formula C22H19ClO and a molecular weight of 334.85 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-1-chlorodibenzofuran.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-1-chlorodibenzofuran
PubChem CID176607720
Molecular FormulaC22H19ClO
Molecular Weight334.85 g/mol
Exact Mass334.11
IUPAC Name6-(4-tert-butylphenyl)-1-chlorodibenzofuran
SMILESCC(C)(C)c1ccc(-c2cccc3c2oc2cccc(Cl)c23)cc1
InChIInChI=1S/C22H19ClO/c1-22(2,3)15-12-10-14(11-13-15)16-6-4-7-17-20-18(23)8-5-9-19(20)24-21(16)17/h4-13H,1-3H3
InChIKeyKZWSYVGRFREXSM-UHFFFAOYSA-N
XLogP7.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.85
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(9-chlorodibenzofuran-4-yl)-9-phenylcarbazole
CID 142624048
4-[3-[6-(4-tert-butylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273611
2-(4-tert-butylphenyl)-12-(2-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 171053112
1,6-diphenyldibenzofuran
CID 145331756
4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran
CID 144568505
1-chloro-6-triphenylen-2-yldibenzofuran;4,4,5,5-tetramethyl-2-(6-triphenylen-2-yldibenzofuran-1-yl)-1,3,2-dioxaborolane;uranium
CID 158232144
4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663
4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran
CID 58991734
2-[4-(4-tert-butylphenyl)phenyl]-1-chlorodibenzofuran
CID 174263582
2-(4-tert-butylphenyl)-4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazine
CID 169278969
6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine
CID 154728765
7-chloro-5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran
CID 167440876

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-1-chlorodibenzofuran?
The IUPAC name of 6-(4-tert-butylphenyl)-1-chlorodibenzofuran (CID 176607720) is 6-(4-tert-butylphenyl)-1-chlorodibenzofuran.
What is the SMILES notation for 6-(4-tert-butylphenyl)-1-chlorodibenzofuran?
The canonical SMILES for 6-(4-tert-butylphenyl)-1-chlorodibenzofuran is CC(C)(C)c1ccc(-c2cccc3c2oc2cccc(Cl)c23)cc1.
What is the InChIKey of 6-(4-tert-butylphenyl)-1-chlorodibenzofuran?
The InChIKey is KZWSYVGRFREXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClO/c1-22(2,3)15-12-10-14(11-13-15)16-6-4-7-17-20-18(23)8-5-9-19(20)24-21(16)17/h4-13H,1-3H3.
What are the key properties of 6-(4-tert-butylphenyl)-1-chlorodibenzofuran?
6-(4-tert-butylphenyl)-1-chlorodibenzofuran has a molecular weight of 334.85 g/mol, XLogP of 7.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-1-chlorodibenzofuran is sourced from PubChem (CID 176607720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).