1,3,5-trichloro-2-(3-methoxyphenyl)benzene

C13H9Cl3O — CID 57304526

IUPAC1,3,5-trichloro-2-(3-methoxyphenyl)benzene
SMILESCOc1cccc(-c2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C13H9Cl3O/c1-17-10-4-2-3-8(5-10)13-11(15)6-9(14)7-12(13)16/h2-7H,1H3
InChIKeySJFTUVMTMJFDMF-UHFFFAOYSA-N
MW287.57 g/mol
LogP5.32
Rot. Bonds2

About 1,3,5-trichloro-2-(3-methoxyphenyl)benzene

1,3,5-trichloro-2-(3-methoxyphenyl)benzene (PubChem CID 57304526) has the molecular formula C13H9Cl3O and a molecular weight of 287.57 g/mol. Its IUPAC name is 1,3,5-trichloro-2-(3-methoxyphenyl)benzene.

Molecular Properties

Compound Name1,3,5-trichloro-2-(3-methoxyphenyl)benzene
PubChem CID57304526
Molecular FormulaC13H9Cl3O
Molecular Weight287.57 g/mol
Exact Mass285.97
IUPAC Name1,3,5-trichloro-2-(3-methoxyphenyl)benzene
SMILESCOc1cccc(-c2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C13H9Cl3O/c1-17-10-4-2-3-8(5-10)13-11(15)6-9(14)7-12(13)16/h2-7H,1H3
InChIKeySJFTUVMTMJFDMF-UHFFFAOYSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.57
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-(3-methoxyphenyl)benzene-1,3-diol
CID 175727272
1,5-dichloro-9,10-bis(3-methoxyphenyl)anthracene
CID 10790094
2-(3-methoxyphenyl)-1,3,5-trimethylbenzene
CID 66916575
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene
CID 91071120
1,3,5-trichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 134628384
3-chloro-5-(3-methoxyphenyl)pyridine
CID 173285153
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
3-chloro-5-(3-methoxyphenyl)benzoic acid
CID 53225426
2-chloro-1-(3-methoxyphenyl)-4-phenylbenzene
CID 173255261
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-2-(3-methoxyphenyl)benzene?
The IUPAC name of 1,3,5-trichloro-2-(3-methoxyphenyl)benzene (CID 57304526) is 1,3,5-trichloro-2-(3-methoxyphenyl)benzene.
What is the SMILES notation for 1,3,5-trichloro-2-(3-methoxyphenyl)benzene?
The canonical SMILES for 1,3,5-trichloro-2-(3-methoxyphenyl)benzene is COc1cccc(-c2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of 1,3,5-trichloro-2-(3-methoxyphenyl)benzene?
The InChIKey is SJFTUVMTMJFDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3O/c1-17-10-4-2-3-8(5-10)13-11(15)6-9(14)7-12(13)16/h2-7H,1H3.
What are the key properties of 1,3,5-trichloro-2-(3-methoxyphenyl)benzene?
1,3,5-trichloro-2-(3-methoxyphenyl)benzene has a molecular weight of 287.57 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloro-2-(3-methoxyphenyl)benzene is sourced from PubChem (CID 57304526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).