1,3,5-trichloro-2,4,6-tripropoxybenzene

C15H21Cl3O3 — CID 88760261

IUPAC1,3,5-trichloro-2,4,6-tripropoxybenzene
SMILESCCCOc1c(Cl)c(OCCC)c(Cl)c(OCCC)c1Cl
InChIInChI=1S/C15H21Cl3O3/c1-4-7-19-13-10(16)14(20-8-5-2)12(18)15(11(13)17)21-9-6-3/h4-9H2,1-3H3
InChIKeyBPCGXWKPYLDONV-UHFFFAOYSA-N
MW355.69 g/mol
LogP6.01
Rot. Bonds9

About 1,3,5-trichloro-2,4,6-tripropoxybenzene

1,3,5-trichloro-2,4,6-tripropoxybenzene (PubChem CID 88760261) has the molecular formula C15H21Cl3O3 and a molecular weight of 355.69 g/mol. Its IUPAC name is 1,3,5-trichloro-2,4,6-tripropoxybenzene.

Molecular Properties

Compound Name1,3,5-trichloro-2,4,6-tripropoxybenzene
PubChem CID88760261
Molecular FormulaC15H21Cl3O3
Molecular Weight355.69 g/mol
Exact Mass354.06
IUPAC Name1,3,5-trichloro-2,4,6-tripropoxybenzene
SMILESCCCOc1c(Cl)c(OCCC)c(Cl)c(OCCC)c1Cl
InChIInChI=1S/C15H21Cl3O3/c1-4-7-19-13-10(16)14(20-8-5-2)12(18)15(11(13)17)21-9-6-3/h4-9H2,1-3H3
InChIKeyBPCGXWKPYLDONV-UHFFFAOYSA-N
XLogP6.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.69
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3-trichloro-4,5,6-tripropoxybenzene
CID 20565990
1,2,3,4,5-pentachloro-6-octoxybenzene
CID 19820106
2,4-dichloro-1-propoxynaphthalene
CID 70099872
2-chloro-1,3-dimethyl-5-propoxybenzene
CID 123140196
3,5-dichloro-2-propoxyphenol
CID 82267104
3-chloro-2-propoxyaniline
CID 14618927
1,2,3,4,5-pentapropoxybenzene
CID 91365553
magnesium;1,3-dimethyl-2-propoxybenzene-5-ide;bromide
CID 91657502
1,5-dichloro-3-ethoxy-2-propoxybenzene
CID 125116590
1,3-dimethyl-2-propoxybenzene
CID 579040
2-butoxy-1,3,4,5-tetrachlorobenzene
CID 91736828
49,50,51,52,53,54,55,56-octapropoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene-5,11,17,23,29,35,41,47-octol
CID 101022351

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-2,4,6-tripropoxybenzene?
The IUPAC name of 1,3,5-trichloro-2,4,6-tripropoxybenzene (CID 88760261) is 1,3,5-trichloro-2,4,6-tripropoxybenzene.
What is the SMILES notation for 1,3,5-trichloro-2,4,6-tripropoxybenzene?
The canonical SMILES for 1,3,5-trichloro-2,4,6-tripropoxybenzene is CCCOc1c(Cl)c(OCCC)c(Cl)c(OCCC)c1Cl.
What is the InChIKey of 1,3,5-trichloro-2,4,6-tripropoxybenzene?
The InChIKey is BPCGXWKPYLDONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl3O3/c1-4-7-19-13-10(16)14(20-8-5-2)12(18)15(11(13)17)21-9-6-3/h4-9H2,1-3H3.
What are the key properties of 1,3,5-trichloro-2,4,6-tripropoxybenzene?
1,3,5-trichloro-2,4,6-tripropoxybenzene has a molecular weight of 355.69 g/mol, XLogP of 6.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloro-2,4,6-tripropoxybenzene is sourced from PubChem (CID 88760261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).