[2-benzoyl-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-5-methylfuro[3,2-f][1]benzofuran-6-yl]-phenylmethanone

C33H20Cl2O4 — CID 11753199

IUPAC[2-benzoyl-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-5-methylfuro[3,2-f][1]benzofuran-6-yl]-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)oc2cc3oc(C(=O)c4ccccc4)c(/C=C/c4ccc(Cl)cc4Cl)c3cc12
InChIInChI=1S/C33H20Cl2O4/c1-19-25-17-26-24(15-13-20-12-14-23(34)16-27(20)35)33(31(37)22-10-6-3-7-11-22)39-29(26)18-28(25)38-32(19)30(36)21-8-4-2-5-9-21/h2-18H,1H3/b15-13+
InChIKeyRJOBMGGECKZHRW-FYWRMAATSA-N
MW551.43 g/mol
LogP9.43
Rot. Bonds6

About [2-benzoyl-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-5-methylfuro[3,2-f][1]benzofuran-6-yl]-phenylmethanone

[2-benzoyl-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-5-methylfuro[3,2-f][1]benzofuran-6-yl]-phenylmethanone (PubChem CID 11753199) has the molecular formula C33H20Cl2O4 and a molecular weight of 551.43 g/mol. Its IUPAC name is [2-benzoyl-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-5-methylfuro[3,2-f][1]benzofuran-6-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-benzoyl-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-5-methylfuro[3,2-f][1]benzofuran-6-yl]-phenylmethanone
PubChem CID11753199
Molecular FormulaC33H20Cl2O4
Molecular Weight551.43 g/mol
Exact Mass550.07
IUPAC Name[2-benzoyl-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-5-methylfuro[3,2-f][1]benzofuran-6-yl]-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)oc2cc3oc(C(=O)c4ccccc4)c(/C=C/c4ccc(Cl)cc4Cl)c3cc12
InChIInChI=1S/C33H20Cl2O4/c1-19-25-17-26-24(15-13-20-12-14-23(34)16-27(20)35)33(31(37)22-10-6-3-7-11-22)39-29(26)18-28(25)38-32(19)30(36)21-8-4-2-5-9-21/h2-18H,1H3/b15-13+
InChIKeyRJOBMGGECKZHRW-FYWRMAATSA-N
XLogP9.43
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.43
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-benzoyl-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-5-methylfuro[3,2-f][1]benzofuran-6-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzoyl-3-methyl-6-phenyl-5-[(E)-2-phenylethenyl]furo[3,2-g]chromen-7-one
CID 10790956
2-benzoyl-3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-6-phenylfuro[3,2-g]chromen-7-one
CID 10625080
(3-bromophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 60706471
(3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 63549321
(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 102949391
4-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)benzonitrile
CID 60711298
(4-chlorophenyl)-(5,7-dichloro-3-methyl-1-benzofuran-2-yl)methanone
CID 2797713
2,4-dichloro-1-(2-phenylethenyl)benzene
CID 66779322
(Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid
CID 43132115
(2,4-dichlorophenyl)-(3-methyl-6-pyridin-2-yl-1-benzofuran-2-yl)methanone
CID 68512766
ethyl (2S)-2-(2-benzoyl-5-chloro-1-benzofuran-3-yl)propanoate
CID 122484797
5-[(2-benzoyl-3-methyl-5-oxofuro[3,2-g]chromen-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 57395463

Frequently Asked Questions

What is the IUPAC name of [2-benzoyl-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-5-methylfuro[3,2-f][1]benzofuran-6-yl]-phenylmethanone?
The IUPAC name of [2-benzoyl-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-5-methylfuro[3,2-f][1]benzofuran-6-yl]-phenylmethanone (CID 11753199) is [2-benzoyl-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-5-methylfuro[3,2-f][1]benzofuran-6-yl]-phenylmethanone.
What is the SMILES notation for [2-benzoyl-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-5-methylfuro[3,2-f][1]benzofuran-6-yl]-phenylmethanone?
The canonical SMILES for [2-benzoyl-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-5-methylfuro[3,2-f][1]benzofuran-6-yl]-phenylmethanone is Cc1c(C(=O)c2ccccc2)oc2cc3oc(C(=O)c4ccccc4)c(/C=C/c4ccc(Cl)cc4Cl)c3cc12.
What is the InChIKey of [2-benzoyl-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-5-methylfuro[3,2-f][1]benzofuran-6-yl]-phenylmethanone?
The InChIKey is RJOBMGGECKZHRW-FYWRMAATSA-N. The full InChI is InChI=1S/C33H20Cl2O4/c1-19-25-17-26-24(15-13-20-12-14-23(34)16-27(20)35)33(31(37)22-10-6-3-7-11-22)39-29(26)18-28(25)38-32(19)30(36)21-8-4-2-5-9-21/h2-18H,1H3/b15-13+.
What are the key properties of [2-benzoyl-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-5-methylfuro[3,2-f][1]benzofuran-6-yl]-phenylmethanone?
[2-benzoyl-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-5-methylfuro[3,2-f][1]benzofuran-6-yl]-phenylmethanone has a molecular weight of 551.43 g/mol, XLogP of 9.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzoyl-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]-5-methylfuro[3,2-f][1]benzofuran-6-yl]-phenylmethanone is sourced from PubChem (CID 11753199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).