1,2,3-trimethoxy-5-(4-methoxyphenoxy)benzene

C16H18O5 — CID 14020506

IUPAC1,2,3-trimethoxy-5-(4-methoxyphenoxy)benzene
SMILESCOc1ccc(Oc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C16H18O5/c1-17-11-5-7-12(8-6-11)21-13-9-14(18-2)16(20-4)15(10-13)19-3/h5-10H,1-4H3
InChIKeyJZLCFMGTZMFLCI-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.51
Rot. Bonds6

About 1,2,3-trimethoxy-5-(4-methoxyphenoxy)benzene

1,2,3-trimethoxy-5-(4-methoxyphenoxy)benzene (PubChem CID 14020506) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-(4-methoxyphenoxy)benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-(4-methoxyphenoxy)benzene
PubChem CID14020506
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Name1,2,3-trimethoxy-5-(4-methoxyphenoxy)benzene
SMILESCOc1ccc(Oc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C16H18O5/c1-17-11-5-7-12(8-6-11)21-13-9-14(18-2)16(20-4)15(10-13)19-3/h5-10H,1-4H3
InChIKeyJZLCFMGTZMFLCI-UHFFFAOYSA-N
XLogP3.51
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-(4-methoxyphenoxy)benzene?
The IUPAC name of 1,2,3-trimethoxy-5-(4-methoxyphenoxy)benzene (CID 14020506) is 1,2,3-trimethoxy-5-(4-methoxyphenoxy)benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-(4-methoxyphenoxy)benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-(4-methoxyphenoxy)benzene is COc1ccc(Oc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 1,2,3-trimethoxy-5-(4-methoxyphenoxy)benzene?
The InChIKey is JZLCFMGTZMFLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c1-17-11-5-7-12(8-6-11)21-13-9-14(18-2)16(20-4)15(10-13)19-3/h5-10H,1-4H3.
What are the key properties of 1,2,3-trimethoxy-5-(4-methoxyphenoxy)benzene?
1,2,3-trimethoxy-5-(4-methoxyphenoxy)benzene has a molecular weight of 290.32 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-(4-methoxyphenoxy)benzene is sourced from PubChem (CID 14020506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).