1-chloro-8-(2-methylbut-3-yn-2-yloxy)dibenzofuran

C17H13ClO2 — CID 50906222

IUPAC1-chloro-8-(2-methylbut-3-yn-2-yloxy)dibenzofuran
SMILESC#CC(C)(C)Oc1ccc2oc3cccc(Cl)c3c2c1
InChIInChI=1S/C17H13ClO2/c1-4-17(2,3)20-11-8-9-14-12(10-11)16-13(18)6-5-7-15(16)19-14/h1,5-10H,2-3H3
InChIKeyFCQVUKGXVTVPTF-UHFFFAOYSA-N
MW284.74 g/mol
LogP5.03
Rot. Bonds2

About 1-chloro-8-(2-methylbut-3-yn-2-yloxy)dibenzofuran

1-chloro-8-(2-methylbut-3-yn-2-yloxy)dibenzofuran (PubChem CID 50906222) has the molecular formula C17H13ClO2 and a molecular weight of 284.74 g/mol. Its IUPAC name is 1-chloro-8-(2-methylbut-3-yn-2-yloxy)dibenzofuran.

Molecular Properties

Compound Name1-chloro-8-(2-methylbut-3-yn-2-yloxy)dibenzofuran
PubChem CID50906222
Molecular FormulaC17H13ClO2
Molecular Weight284.74 g/mol
Exact Mass284.06
IUPAC Name1-chloro-8-(2-methylbut-3-yn-2-yloxy)dibenzofuran
SMILESC#CC(C)(C)Oc1ccc2oc3cccc(Cl)c3c2c1
InChIInChI=1S/C17H13ClO2/c1-4-17(2,3)20-11-8-9-14-12(10-11)16-13(18)6-5-7-15(16)19-14/h1,5-10H,2-3H3
InChIKeyFCQVUKGXVTVPTF-UHFFFAOYSA-N
XLogP5.03
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.74
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-(2-methylbut-3-yn-2-yloxy)benzene
CID 13222886
9-chloro-N,N-diphenyldibenzofuran-2-amine
CID 139422567
6-chloro-[1]benzofuro[3,2-g]isoquinoline
CID 166502382
2-(9-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 163739599
5,16-dimethoxy-9,20-dioxaheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10,12,14(28),15,17,19(27),21,23,25-tridecaene
CID 53382046
dibenzofuran-2-yl 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 5199831
1-tert-butyldibenzofuran
CID 59078665
6-(4-tert-butylphenyl)-1-chlorodibenzofuran
CID 176607720
5-chloro-4-dibenzofuran-2-yloxypyrimidine
CID 166218206
8-chloro-1-dibenzofuran-1-yldibenzofuran
CID 174292650
CID 67500547
CID 67500547
15-chloro-2-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene
CID 154727808

Frequently Asked Questions

What is the IUPAC name of 1-chloro-8-(2-methylbut-3-yn-2-yloxy)dibenzofuran?
The IUPAC name of 1-chloro-8-(2-methylbut-3-yn-2-yloxy)dibenzofuran (CID 50906222) is 1-chloro-8-(2-methylbut-3-yn-2-yloxy)dibenzofuran.
What is the SMILES notation for 1-chloro-8-(2-methylbut-3-yn-2-yloxy)dibenzofuran?
The canonical SMILES for 1-chloro-8-(2-methylbut-3-yn-2-yloxy)dibenzofuran is C#CC(C)(C)Oc1ccc2oc3cccc(Cl)c3c2c1.
What is the InChIKey of 1-chloro-8-(2-methylbut-3-yn-2-yloxy)dibenzofuran?
The InChIKey is FCQVUKGXVTVPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO2/c1-4-17(2,3)20-11-8-9-14-12(10-11)16-13(18)6-5-7-15(16)19-14/h1,5-10H,2-3H3.
What are the key properties of 1-chloro-8-(2-methylbut-3-yn-2-yloxy)dibenzofuran?
1-chloro-8-(2-methylbut-3-yn-2-yloxy)dibenzofuran has a molecular weight of 284.74 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-8-(2-methylbut-3-yn-2-yloxy)dibenzofuran is sourced from PubChem (CID 50906222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).