2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)tetrazol-5-yl]phenol

C17H18N4O5 — CID 57383992

IUPAC2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)tetrazol-5-yl]phenol
SMILESCOc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C17H18N4O5/c1-23-13-6-5-10(7-12(13)22)17-18-19-20-21(17)11-8-14(24-2)16(26-4)15(9-11)25-3/h5-9,22H,1-4H3
InChIKeyUPDFSBOXUUODBW-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.07
Rot. Bonds6

About 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)tetrazol-5-yl]phenol

2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)tetrazol-5-yl]phenol (PubChem CID 57383992) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)tetrazol-5-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)tetrazol-5-yl]phenol
PubChem CID57383992
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC Name2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)tetrazol-5-yl]phenol
SMILESCOc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C17H18N4O5/c1-23-13-6-5-10(7-12(13)22)17-18-19-20-21(17)11-8-14(24-2)16(26-4)15(9-11)25-3/h5-9,22H,1-4H3
InChIKeyUPDFSBOXUUODBW-UHFFFAOYSA-N
XLogP2.07
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)tetrazol-5-yl]phenol?
The IUPAC name of 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)tetrazol-5-yl]phenol (CID 57383992) is 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)tetrazol-5-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)tetrazol-5-yl]phenol?
The canonical SMILES for 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)tetrazol-5-yl]phenol is COc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)tetrazol-5-yl]phenol?
The InChIKey is UPDFSBOXUUODBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5/c1-23-13-6-5-10(7-12(13)22)17-18-19-20-21(17)11-8-14(24-2)16(26-4)15(9-11)25-3/h5-9,22H,1-4H3.
What are the key properties of 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)tetrazol-5-yl]phenol?
2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)tetrazol-5-yl]phenol has a molecular weight of 358.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)tetrazol-5-yl]phenol is sourced from PubChem (CID 57383992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).