[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methanol

C17H18N4O3 — CID 2988697

IUPAC[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methanol
SMILESCOc1cc(CO)ccc1OCc1nnnn1-c1ccc(C)cc1
InChIInChI=1S/C17H18N4O3/c1-12-3-6-14(7-4-12)21-17(18-19-20-21)11-24-15-8-5-13(10-22)9-16(15)23-2/h3-9,22H,10-11H2,1-2H3
InChIKeyXOPQIUGJDJNZCS-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.05
Rot. Bonds6

About [3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methanol

[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methanol (PubChem CID 2988697) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is [3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methanol
PubChem CID2988697
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methanol
SMILESCOc1cc(CO)ccc1OCc1nnnn1-c1ccc(C)cc1
InChIInChI=1S/C17H18N4O3/c1-12-3-6-14(7-4-12)21-17(18-19-20-21)11-24-15-8-5-13(10-22)9-16(15)23-2/h3-9,22H,10-11H2,1-2H3
InChIKeyXOPQIUGJDJNZCS-UHFFFAOYSA-N
XLogP2.05
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methanol?
The IUPAC name of [3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methanol (CID 2988697) is [3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methanol.
What is the SMILES notation for [3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methanol?
The canonical SMILES for [3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methanol is COc1cc(CO)ccc1OCc1nnnn1-c1ccc(C)cc1.
What is the InChIKey of [3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methanol?
The InChIKey is XOPQIUGJDJNZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-12-3-6-14(7-4-12)21-17(18-19-20-21)11-24-15-8-5-13(10-22)9-16(15)23-2/h3-9,22H,10-11H2,1-2H3.
What are the key properties of [3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methanol?
[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methanol has a molecular weight of 326.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methanol is sourced from PubChem (CID 2988697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).