2-[(2,3-dichlorophenyl)methyl]dibenzofuran

C19H12Cl2O — CID 167572111

IUPAC2-[(2,3-dichlorophenyl)methyl]dibenzofuran
SMILESClc1cccc(Cc2ccc3oc4ccccc4c3c2)c1Cl
InChIInChI=1S/C19H12Cl2O/c20-16-6-3-4-13(19(16)21)10-12-8-9-18-15(11-12)14-5-1-2-7-17(14)22-18/h1-9,11H,10H2
InChIKeyBVKWGNCPGOEMCT-UHFFFAOYSA-N
MW327.21 g/mol
LogP6.48
Rot. Bonds2

About 2-[(2,3-dichlorophenyl)methyl]dibenzofuran

2-[(2,3-dichlorophenyl)methyl]dibenzofuran (PubChem CID 167572111) has the molecular formula C19H12Cl2O and a molecular weight of 327.21 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methyl]dibenzofuran.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methyl]dibenzofuran
PubChem CID167572111
Molecular FormulaC19H12Cl2O
Molecular Weight327.21 g/mol
Exact Mass326.03
IUPAC Name2-[(2,3-dichlorophenyl)methyl]dibenzofuran
SMILESClc1cccc(Cc2ccc3oc4ccccc4c3c2)c1Cl
InChIInChI=1S/C19H12Cl2O/c20-16-6-3-4-13(19(16)21)10-12-8-9-18-15(11-12)14-5-1-2-7-17(14)22-18/h1-9,11H,10H2
InChIKeyBVKWGNCPGOEMCT-UHFFFAOYSA-N
XLogP6.48
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.21
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]dibenzofuran
CID 159538569
N-[(2-chlorophenyl)methyl]dibenzofuran-2-amine
CID 23521797
2-dibenzofuran-2-ylethanol
CID 567048
1-dibenzofuran-2-ylpropan-2-amine
CID 42647881
2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran
CID 59412017
4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxy-1-methylisoquinoline;hydrochloride
CID 74539561
2-(2-methylpropyl)dibenzofuran
CID 59877560
1-(1-benzofuran-2-yl)-2-(2,3-dichlorophenyl)ethanone
CID 107307868
N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-dibenzofuran-2-ylacetamide
CID 166365974
3-bromo-2-chlorodibenzofuran
CID 154949827
3-dibenzofuran-2-ylpropan-1-amine chloride
CID 5351909
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methyl]dibenzofuran?
The IUPAC name of 2-[(2,3-dichlorophenyl)methyl]dibenzofuran (CID 167572111) is 2-[(2,3-dichlorophenyl)methyl]dibenzofuran.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methyl]dibenzofuran?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methyl]dibenzofuran is Clc1cccc(Cc2ccc3oc4ccccc4c3c2)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methyl]dibenzofuran?
The InChIKey is BVKWGNCPGOEMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2O/c20-16-6-3-4-13(19(16)21)10-12-8-9-18-15(11-12)14-5-1-2-7-17(14)22-18/h1-9,11H,10H2.
What are the key properties of 2-[(2,3-dichlorophenyl)methyl]dibenzofuran?
2-[(2,3-dichlorophenyl)methyl]dibenzofuran has a molecular weight of 327.21 g/mol, XLogP of 6.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methyl]dibenzofuran is sourced from PubChem (CID 167572111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).