[4-[2,6-dichloro-4-[2-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone

C30H24Cl4O3 — CID 58690162

IUPAC[4-[2,6-dichloro-4-[2-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
SMILESCOc1c(Cl)cc(C(C)(C)c2cc(Cl)c(Oc3ccc(C(=O)c4ccc(C)cc4)cc3)c(Cl)c2)cc1Cl
InChIInChI=1S/C30H24Cl4O3/c1-17-5-7-18(8-6-17)27(35)19-9-11-22(12-10-19)37-29-25(33)15-21(16-26(29)34)30(2,3)20-13-23(31)28(36-4)24(32)14-20/h5-16H,1-4H3
InChIKeyAVVMSBDHJQXTNL-UHFFFAOYSA-N
MW574.33 g/mol
LogP9.97
Rot. Bonds7

About [4-[2,6-dichloro-4-[2-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone

[4-[2,6-dichloro-4-[2-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone (PubChem CID 58690162) has the molecular formula C30H24Cl4O3 and a molecular weight of 574.33 g/mol. Its IUPAC name is [4-[2,6-dichloro-4-[2-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[2,6-dichloro-4-[2-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
PubChem CID58690162
Molecular FormulaC30H24Cl4O3
Molecular Weight574.33 g/mol
Exact Mass572.05
IUPAC Name[4-[2,6-dichloro-4-[2-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
SMILESCOc1c(Cl)cc(C(C)(C)c2cc(Cl)c(Oc3ccc(C(=O)c4ccc(C)cc4)cc3)c(Cl)c2)cc1Cl
InChIInChI=1S/C30H24Cl4O3/c1-17-5-7-18(8-6-17)27(35)19-9-11-22(12-10-19)37-29-25(33)15-21(16-26(29)34)30(2,3)20-13-23(31)28(36-4)24(32)14-20/h5-16H,1-4H3
InChIKeyAVVMSBDHJQXTNL-UHFFFAOYSA-N
XLogP9.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.33
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
5-[2-[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-2-methoxy-1,3-dimethylbenzene;[4-(6-methoxynaphthalen-2-yl)oxyphenyl]-(4-methylphenyl)methanone;(4-methylphenyl)-[4-(2,4,5-trimethoxyphenoxy)phenyl]methanone
CID 161152440
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
3,5-dichloro-4-methoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9366541
[4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 160674185
[4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 20682561
(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 58399730
bis[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methanone
CID 22978857
(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-(4-methylphenoxy)benzoyl]phenyl]ethanone
CID 145054271
ethene;[2-methoxy-3-methyl-5-[2-[3-methyl-4-(4-methylphenoxy)-5-(sulfanylmethyl)phenyl]propan-2-yl]phenyl]methanethiol;1,4-xylene
CID 143168284

Frequently Asked Questions

What is the IUPAC name of [4-[2,6-dichloro-4-[2-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[2,6-dichloro-4-[2-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone (CID 58690162) is [4-[2,6-dichloro-4-[2-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[2,6-dichloro-4-[2-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[2,6-dichloro-4-[2-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone is COc1c(Cl)cc(C(C)(C)c2cc(Cl)c(Oc3ccc(C(=O)c4ccc(C)cc4)cc3)c(Cl)c2)cc1Cl.
What is the InChIKey of [4-[2,6-dichloro-4-[2-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone?
The InChIKey is AVVMSBDHJQXTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24Cl4O3/c1-17-5-7-18(8-6-17)27(35)19-9-11-22(12-10-19)37-29-25(33)15-21(16-26(29)34)30(2,3)20-13-23(31)28(36-4)24(32)14-20/h5-16H,1-4H3.
What are the key properties of [4-[2,6-dichloro-4-[2-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone?
[4-[2,6-dichloro-4-[2-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone has a molecular weight of 574.33 g/mol, XLogP of 9.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,6-dichloro-4-[2-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 58690162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).