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

C17H18N4O2 — CID 10686384

IUPAC2-[5-[4-[(3-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol
SMILESCc1cccc(COc2ccc(-c3nnn(CCO)n3)cc2)c1
InChIInChI=1S/C17H18N4O2/c1-13-3-2-4-14(11-13)12-23-16-7-5-15(6-8-16)17-18-20-21(19-17)9-10-22/h2-8,11,22H,9-10,12H2,1H3
InChIKeyHJMZKALPKZHWES-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.22
Rot. Bonds6

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

2-[5-[4-[(3-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol (PubChem CID 10686384) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[5-[4-[(3-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[4-[(3-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol
PubChem CID10686384
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-[5-[4-[(3-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol
SMILESCc1cccc(COc2ccc(-c3nnn(CCO)n3)cc2)c1
InChIInChI=1S/C17H18N4O2/c1-13-3-2-4-14(11-13)12-23-16-7-5-15(6-8-16)17-18-20-21(19-17)9-10-22/h2-8,11,22H,9-10,12H2,1H3
InChIKeyHJMZKALPKZHWES-UHFFFAOYSA-N
XLogP2.22
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[(3-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol?
The IUPAC name of 2-[5-[4-[(3-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol (CID 10686384) is 2-[5-[4-[(3-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-[4-[(3-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol?
The canonical SMILES for 2-[5-[4-[(3-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol is Cc1cccc(COc2ccc(-c3nnn(CCO)n3)cc2)c1.
What is the InChIKey of 2-[5-[4-[(3-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol?
The InChIKey is HJMZKALPKZHWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-13-3-2-4-14(11-13)12-23-16-7-5-15(6-8-16)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-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol?
2-[5-[4-[(3-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol has a molecular weight of 310.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[(3-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol is sourced from PubChem (CID 10686384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).