[4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone

C39H26Cl2O4 — CID 58607338

IUPAC[4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(Oc2ccccc2Cc2ccccc2Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C39H26Cl2O4/c40-32-17-9-26(10-18-32)38(42)28-13-21-34(22-14-28)44-36-7-3-1-5-30(36)25-31-6-2-4-8-37(31)45-35-23-15-29(16-24-35)39(43)27-11-19-33(41)20-12-27/h1-24H,25H2
InChIKeyBCQNRCJGOFSMJK-UHFFFAOYSA-N
MW629.54 g/mol
LogP10.63
Rot. Bonds10

About [4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone

[4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone (PubChem CID 58607338) has the molecular formula C39H26Cl2O4 and a molecular weight of 629.54 g/mol. Its IUPAC name is [4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone
PubChem CID58607338
Molecular FormulaC39H26Cl2O4
Molecular Weight629.54 g/mol
Exact Mass628.12
IUPAC Name[4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(Oc2ccccc2Cc2ccccc2Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C39H26Cl2O4/c40-32-17-9-26(10-18-32)38(42)28-13-21-34(22-14-28)44-36-7-3-1-5-30(36)25-31-6-2-4-8-37(31)45-35-23-15-29(16-24-35)39(43)27-11-19-33(41)20-12-27/h1-24H,25H2
InChIKeyBCQNRCJGOFSMJK-UHFFFAOYSA-N
XLogP10.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.54
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone with MolForge

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Related Compounds

[4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone
CID 59847037
1-chloro-4-(2-ethylphenoxy)benzene
CID 59800197
1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one
CID 22998022
amino 2-[2-(4-chlorophenoxy)phenyl]acetate
CID 66824654
3-[2-(4-chlorophenoxy)phenyl]propanoic acid
CID 2764439
[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
[2-[4-[4-[2-(4-chlorobenzoyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-chlorophenyl)methanone
CID 22633805
[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone
CID 59755388
phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone
CID 68914261
1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane
CID 143444717
[3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone
CID 91388813

Frequently Asked Questions

What is the IUPAC name of [4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone?
The IUPAC name of [4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone (CID 58607338) is [4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone?
The canonical SMILES for [4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1ccc(Oc2ccccc2Cc2ccccc2Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of [4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone?
The InChIKey is BCQNRCJGOFSMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26Cl2O4/c40-32-17-9-26(10-18-32)38(42)28-13-21-34(22-14-28)44-36-7-3-1-5-30(36)25-31-6-2-4-8-37(31)45-35-23-15-29(16-24-35)39(43)27-11-19-33(41)20-12-27/h1-24H,25H2.
What are the key properties of [4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone?
[4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone has a molecular weight of 629.54 g/mol, XLogP of 10.63, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 58607338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).