4-[2-(4-chlorophenyl)ethenyl]dibenzofuran

C20H13ClO — CID 77387011

IUPAC4-[2-(4-chlorophenyl)ethenyl]dibenzofuran
SMILESClc1ccc(C=Cc2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C20H13ClO/c21-16-12-9-14(10-13-16)8-11-15-4-3-6-18-17-5-1-2-7-19(17)22-20(15)18/h1-13H
InChIKeyBGMJTAPQYPPOPT-UHFFFAOYSA-N
MW304.78 g/mol
LogP6.41
Rot. Bonds2

About 4-[2-(4-chlorophenyl)ethenyl]dibenzofuran

4-[2-(4-chlorophenyl)ethenyl]dibenzofuran (PubChem CID 77387011) has the molecular formula C20H13ClO and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethenyl]dibenzofuran.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethenyl]dibenzofuran
PubChem CID77387011
Molecular FormulaC20H13ClO
Molecular Weight304.78 g/mol
Exact Mass304.07
IUPAC Name4-[2-(4-chlorophenyl)ethenyl]dibenzofuran
SMILESClc1ccc(C=Cc2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C20H13ClO/c21-16-12-9-14(10-13-16)8-11-15-4-3-6-18-17-5-1-2-7-19(17)22-20(15)18/h1-13H
InChIKeyBGMJTAPQYPPOPT-UHFFFAOYSA-N
XLogP6.41
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.78
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-chlorophenyl)ethenyl]naphthalene
CID 85443671
4-dibenzofuran-4-ylbut-3-en-1-amine
CID 170487862
4-but-1-enyldibenzofuran
CID 154131929
4-dibenzofuran-4-ylbut-3-en-1-ol
CID 170477506
1-chloro-4-[(E)-2-[2-[2-[(Z)-2-(4-chlorophenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 101472546
7-chloro-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 147340870
1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene
CID 138660638
4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran
CID 167454705
ethyl 3-dibenzofuran-4-ylprop-2-enoate
CID 169481101
5-chloro-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 135171594
1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene
CID 66772159
1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene
CID 139196261

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethenyl]dibenzofuran?
The IUPAC name of 4-[2-(4-chlorophenyl)ethenyl]dibenzofuran (CID 77387011) is 4-[2-(4-chlorophenyl)ethenyl]dibenzofuran.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethenyl]dibenzofuran?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethenyl]dibenzofuran is Clc1ccc(C=Cc2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethenyl]dibenzofuran?
The InChIKey is BGMJTAPQYPPOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClO/c21-16-12-9-14(10-13-16)8-11-15-4-3-6-18-17-5-1-2-7-19(17)22-20(15)18/h1-13H.
What are the key properties of 4-[2-(4-chlorophenyl)ethenyl]dibenzofuran?
4-[2-(4-chlorophenyl)ethenyl]dibenzofuran has a molecular weight of 304.78 g/mol, XLogP of 6.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)ethenyl]dibenzofuran is sourced from PubChem (CID 77387011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).