[3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone

C28H20Cl2O4 — CID 102013038

IUPAC[3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone
SMILESCOc1c(C(=O)c2cccc(Cl)c2)cccc1-c1cccc(C(=O)c2cccc(Cl)c2)c1OC
InChIInChI=1S/C28H20Cl2O4/c1-33-27-21(11-5-13-23(27)25(31)17-7-3-9-19(29)15-17)22-12-6-14-24(28(22)34-2)26(32)18-8-4-10-20(30)16-18/h3-16H,1-2H3
InChIKeyDJCMJJXNRPBQIV-UHFFFAOYSA-N
MW491.37 g/mol
LogP7.14
Rot. Bonds7

About [3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone

[3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone (PubChem CID 102013038) has the molecular formula C28H20Cl2O4 and a molecular weight of 491.37 g/mol. Its IUPAC name is [3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone
PubChem CID102013038
Molecular FormulaC28H20Cl2O4
Molecular Weight491.37 g/mol
Exact Mass490.07
IUPAC Name[3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone
SMILESCOc1c(C(=O)c2cccc(Cl)c2)cccc1-c1cccc(C(=O)c2cccc(Cl)c2)c1OC
InChIInChI=1S/C28H20Cl2O4/c1-33-27-21(11-5-13-23(27)25(31)17-7-3-9-19(29)15-17)22-12-6-14-24(28(22)34-2)26(32)18-8-4-10-20(30)16-18/h3-16H,1-2H3
InChIKeyDJCMJJXNRPBQIV-UHFFFAOYSA-N
XLogP7.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.37
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
[2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone
CID 154019632
(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methanone
CID 114964168
(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone
CID 105076168
(2,3-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 105079255
(3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 21459023
(3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone
CID 70624009
[2-(3-chlorophenyl)phenyl]-phenylmethanone
CID 174644263
(5-chloro-2-methoxyphenyl)-[3-(dimethylamino)phenyl]methanone
CID 105094111
(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62802145
(2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone
CID 90087855
(4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 114962459

Frequently Asked Questions

What is the IUPAC name of [3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone?
The IUPAC name of [3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone (CID 102013038) is [3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone?
The canonical SMILES for [3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone is COc1c(C(=O)c2cccc(Cl)c2)cccc1-c1cccc(C(=O)c2cccc(Cl)c2)c1OC.
What is the InChIKey of [3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone?
The InChIKey is DJCMJJXNRPBQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl2O4/c1-33-27-21(11-5-13-23(27)25(31)17-7-3-9-19(29)15-17)22-12-6-14-24(28(22)34-2)26(32)18-8-4-10-20(30)16-18/h3-16H,1-2H3.
What are the key properties of [3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone?
[3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone has a molecular weight of 491.37 g/mol, XLogP of 7.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 102013038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).