(4R)-3-butyl-2-chloro-4-dibenzofuran-4-ylcyclobut-2-en-1-one

C20H17ClO2 — CID 7910443

IUPAC(4R)-3-butyl-2-chloro-4-dibenzofuran-4-ylcyclobut-2-en-1-one
SMILESCCCCC1=C(Cl)C(=O)[C@@H]1c1cccc2c1oc1ccccc12
InChIInChI=1S/C20H17ClO2/c1-2-3-7-14-17(19(22)18(14)21)15-10-6-9-13-12-8-4-5-11-16(12)23-20(13)15/h4-6,8-11,17H,2-3,7H2,1H3/t17-/m0/s1
InChIKeyGOHYNMZXAZGSTR-KRWDZBQOSA-N
MW324.81 g/mol
LogP5.94
Rot. Bonds4

About (4R)-3-butyl-2-chloro-4-dibenzofuran-4-ylcyclobut-2-en-1-one

(4R)-3-butyl-2-chloro-4-dibenzofuran-4-ylcyclobut-2-en-1-one (PubChem CID 7910443) has the molecular formula C20H17ClO2 and a molecular weight of 324.81 g/mol. Its IUPAC name is (4R)-3-butyl-2-chloro-4-dibenzofuran-4-ylcyclobut-2-en-1-one.

Molecular Properties

Compound Name(4R)-3-butyl-2-chloro-4-dibenzofuran-4-ylcyclobut-2-en-1-one
PubChem CID7910443
Molecular FormulaC20H17ClO2
Molecular Weight324.81 g/mol
Exact Mass324.09
IUPAC Name(4R)-3-butyl-2-chloro-4-dibenzofuran-4-ylcyclobut-2-en-1-one
SMILESCCCCC1=C(Cl)C(=O)[C@@H]1c1cccc2c1oc1ccccc12
InChIInChI=1S/C20H17ClO2/c1-2-3-7-14-17(19(22)18(14)21)15-10-6-9-13-12-8-4-5-11-16(12)23-20(13)15/h4-6,8-11,17H,2-3,7H2,1H3/t17-/m0/s1
InChIKeyGOHYNMZXAZGSTR-KRWDZBQOSA-N
XLogP5.94
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.81
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-butyl-2-chloro-4-dibenzofuran-4-ylcyclobut-2-en-1-one?
The IUPAC name of (4R)-3-butyl-2-chloro-4-dibenzofuran-4-ylcyclobut-2-en-1-one (CID 7910443) is (4R)-3-butyl-2-chloro-4-dibenzofuran-4-ylcyclobut-2-en-1-one.
What is the SMILES notation for (4R)-3-butyl-2-chloro-4-dibenzofuran-4-ylcyclobut-2-en-1-one?
The canonical SMILES for (4R)-3-butyl-2-chloro-4-dibenzofuran-4-ylcyclobut-2-en-1-one is CCCCC1=C(Cl)C(=O)[C@@H]1c1cccc2c1oc1ccccc12.
What is the InChIKey of (4R)-3-butyl-2-chloro-4-dibenzofuran-4-ylcyclobut-2-en-1-one?
The InChIKey is GOHYNMZXAZGSTR-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H17ClO2/c1-2-3-7-14-17(19(22)18(14)21)15-10-6-9-13-12-8-4-5-11-16(12)23-20(13)15/h4-6,8-11,17H,2-3,7H2,1H3/t17-/m0/s1.
What are the key properties of (4R)-3-butyl-2-chloro-4-dibenzofuran-4-ylcyclobut-2-en-1-one?
(4R)-3-butyl-2-chloro-4-dibenzofuran-4-ylcyclobut-2-en-1-one has a molecular weight of 324.81 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-butyl-2-chloro-4-dibenzofuran-4-ylcyclobut-2-en-1-one is sourced from PubChem (CID 7910443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).