[4-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methanol;molecular hydrogen

C14H16N4O — CID 164917553

IUPAC[4-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methanol;molecular hydrogen
SMILESOCc1ccc(-c2ccc(C3=NNNN3)cc2)cc1.[H][H]
InChIInChI=1S/C14H14N4O.H2/c19-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14-15-17-18-16-14;/h1-8,17-19H,9H2,(H,15,16);1H
InChIKeyPSOKAZQZKFZRRF-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.37
Rot. Bonds3

About [4-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methanol;molecular hydrogen

[4-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methanol;molecular hydrogen (PubChem CID 164917553) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is [4-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methanol;molecular hydrogen.

Molecular Properties

Compound Name[4-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methanol;molecular hydrogen
PubChem CID164917553
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name[4-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methanol;molecular hydrogen
SMILESOCc1ccc(-c2ccc(C3=NNNN3)cc2)cc1.[H][H]
InChIInChI=1S/C14H14N4O.H2/c19-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14-15-17-18-16-14;/h1-8,17-19H,9H2,(H,15,16);1H
InChIKeyPSOKAZQZKFZRRF-UHFFFAOYSA-N
XLogP1.37
TPSA68.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methanol;molecular hydrogen?
The IUPAC name of [4-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methanol;molecular hydrogen (CID 164917553) is [4-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methanol;molecular hydrogen.
What is the SMILES notation for [4-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methanol;molecular hydrogen?
The canonical SMILES for [4-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methanol;molecular hydrogen is OCc1ccc(-c2ccc(C3=NNNN3)cc2)cc1.[H][H].
What is the InChIKey of [4-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methanol;molecular hydrogen?
The InChIKey is PSOKAZQZKFZRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O.H2/c19-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14-15-17-18-16-14;/h1-8,17-19H,9H2,(H,15,16);1H.
What are the key properties of [4-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methanol;molecular hydrogen?
[4-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methanol;molecular hydrogen has a molecular weight of 256.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methanol;molecular hydrogen is sourced from PubChem (CID 164917553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).