2-[5-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol

C17H18N4O3 — CID 10520166

IUPAC2-[5-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol
SMILESCOc1cccc(COc2ccc(-c3nnn(CCO)n3)cc2)c1
InChIInChI=1S/C17H18N4O3/c1-23-16-4-2-3-13(11-16)12-24-15-7-5-14(6-8-15)17-18-20-21(19-17)9-10-22/h2-8,11,22H,9-10,12H2,1H3
InChIKeyKUHDSHAIFLUFBX-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.92
Rot. Bonds7

About 2-[5-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol

2-[5-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol (PubChem CID 10520166) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[5-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol
PubChem CID10520166
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-[5-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol
SMILESCOc1cccc(COc2ccc(-c3nnn(CCO)n3)cc2)c1
InChIInChI=1S/C17H18N4O3/c1-23-16-4-2-3-13(11-16)12-24-15-7-5-14(6-8-15)17-18-20-21(19-17)9-10-22/h2-8,11,22H,9-10,12H2,1H3
InChIKeyKUHDSHAIFLUFBX-UHFFFAOYSA-N
XLogP1.92
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol?
The IUPAC name of 2-[5-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol (CID 10520166) is 2-[5-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol?
The canonical SMILES for 2-[5-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol is COc1cccc(COc2ccc(-c3nnn(CCO)n3)cc2)c1.
What is the InChIKey of 2-[5-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol?
The InChIKey is KUHDSHAIFLUFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-23-16-4-2-3-13(11-16)12-24-15-7-5-14(6-8-15)17-18-20-21(19-17)9-10-22/h2-8,11,22H,9-10,12H2,1H3.
What are the key properties of 2-[5-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol?
2-[5-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol has a molecular weight of 326.36 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[(3-methoxyphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol is sourced from PubChem (CID 10520166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).