2-[5-[2-[(3,4-dichlorophenyl)methyl]phenyl]tetrazol-2-yl]ethanol

C16H14Cl2N4O — CID 162095401

IUPAC2-[5-[2-[(3,4-dichlorophenyl)methyl]phenyl]tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2ccccc2Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H14Cl2N4O/c17-14-6-5-11(10-15(14)18)9-12-3-1-2-4-13(12)16-19-21-22(20-16)7-8-23/h1-6,10,23H,7-9H2
InChIKeyTWWOFJFOIHYTPE-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.23
Rot. Bonds5

About 2-[5-[2-[(3,4-dichlorophenyl)methyl]phenyl]tetrazol-2-yl]ethanol

2-[5-[2-[(3,4-dichlorophenyl)methyl]phenyl]tetrazol-2-yl]ethanol (PubChem CID 162095401) has the molecular formula C16H14Cl2N4O and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-[5-[2-[(3,4-dichlorophenyl)methyl]phenyl]tetrazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-[(3,4-dichlorophenyl)methyl]phenyl]tetrazol-2-yl]ethanol
PubChem CID162095401
Molecular FormulaC16H14Cl2N4O
Molecular Weight349.22 g/mol
Exact Mass348.05
IUPAC Name2-[5-[2-[(3,4-dichlorophenyl)methyl]phenyl]tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2ccccc2Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H14Cl2N4O/c17-14-6-5-11(10-15(14)18)9-12-3-1-2-4-13(12)16-19-21-22(20-16)7-8-23/h1-6,10,23H,7-9H2
InChIKeyTWWOFJFOIHYTPE-UHFFFAOYSA-N
XLogP3.23
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[(3,4-dichlorophenyl)methyl]phenyl]tetrazol-2-yl]ethanol?
The IUPAC name of 2-[5-[2-[(3,4-dichlorophenyl)methyl]phenyl]tetrazol-2-yl]ethanol (CID 162095401) is 2-[5-[2-[(3,4-dichlorophenyl)methyl]phenyl]tetrazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-[2-[(3,4-dichlorophenyl)methyl]phenyl]tetrazol-2-yl]ethanol?
The canonical SMILES for 2-[5-[2-[(3,4-dichlorophenyl)methyl]phenyl]tetrazol-2-yl]ethanol is OCCn1nnc(-c2ccccc2Cc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-[5-[2-[(3,4-dichlorophenyl)methyl]phenyl]tetrazol-2-yl]ethanol?
The InChIKey is TWWOFJFOIHYTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O/c17-14-6-5-11(10-15(14)18)9-12-3-1-2-4-13(12)16-19-21-22(20-16)7-8-23/h1-6,10,23H,7-9H2.
What are the key properties of 2-[5-[2-[(3,4-dichlorophenyl)methyl]phenyl]tetrazol-2-yl]ethanol?
2-[5-[2-[(3,4-dichlorophenyl)methyl]phenyl]tetrazol-2-yl]ethanol has a molecular weight of 349.22 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[(3,4-dichlorophenyl)methyl]phenyl]tetrazol-2-yl]ethanol is sourced from PubChem (CID 162095401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).