3-[5-[(2,4-dichlorophenyl)methyl]tetrazol-1-yl]propan-1-ol

C11H12Cl2N4O — CID 84759507

IUPAC3-[5-[(2,4-dichlorophenyl)methyl]tetrazol-1-yl]propan-1-ol
SMILESOCCCn1nnnc1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N4O/c12-9-3-2-8(10(13)7-9)6-11-14-15-16-17(11)4-1-5-18/h2-3,7,18H,1,4-6H2
InChIKeyFUGDCXUCPJFGFJ-UHFFFAOYSA-N
MW287.15 g/mol
LogP1.95
Rot. Bonds5

About 3-[5-[(2,4-dichlorophenyl)methyl]tetrazol-1-yl]propan-1-ol

3-[5-[(2,4-dichlorophenyl)methyl]tetrazol-1-yl]propan-1-ol (PubChem CID 84759507) has the molecular formula C11H12Cl2N4O and a molecular weight of 287.15 g/mol. Its IUPAC name is 3-[5-[(2,4-dichlorophenyl)methyl]tetrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-[(2,4-dichlorophenyl)methyl]tetrazol-1-yl]propan-1-ol
PubChem CID84759507
Molecular FormulaC11H12Cl2N4O
Molecular Weight287.15 g/mol
Exact Mass286.04
IUPAC Name3-[5-[(2,4-dichlorophenyl)methyl]tetrazol-1-yl]propan-1-ol
SMILESOCCCn1nnnc1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N4O/c12-9-3-2-8(10(13)7-9)6-11-14-15-16-17(11)4-1-5-18/h2-3,7,18H,1,4-6H2
InChIKeyFUGDCXUCPJFGFJ-UHFFFAOYSA-N
XLogP1.95
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]propan-1-ol
CID 84759511
3-(5-benzyltetrazol-1-yl)propan-1-ol
CID 84759521
3-[5-[(4-bromophenyl)methyl]tetrazol-1-yl]propan-1-ol
CID 84759536
4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine
CID 114182253
N-[[1-[2-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-2-amine
CID 62735962
5-chloro-2-[[1-(3-hydroxypropyl)imidazol-2-yl]methyl]phenol
CID 154457297
3-[4-[[2-(2,4-dichlorophenyl)ethylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269290
4-[(2,4-dichlorophenyl)methyl]-1-methylbenzotriazole
CID 67670341
[1-[1-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]piperidin-4-yl]methanol
CID 154769882
3-[5-(2,6-difluorophenyl)tetrazol-1-yl]propan-1-ol
CID 84759516
4-[5-[(3-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]butan-1-amine
CID 106387282
3-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine
CID 66144586

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2,4-dichlorophenyl)methyl]tetrazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-[(2,4-dichlorophenyl)methyl]tetrazol-1-yl]propan-1-ol (CID 84759507) is 3-[5-[(2,4-dichlorophenyl)methyl]tetrazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-[(2,4-dichlorophenyl)methyl]tetrazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-[(2,4-dichlorophenyl)methyl]tetrazol-1-yl]propan-1-ol is OCCCn1nnnc1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[5-[(2,4-dichlorophenyl)methyl]tetrazol-1-yl]propan-1-ol?
The InChIKey is FUGDCXUCPJFGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O/c12-9-3-2-8(10(13)7-9)6-11-14-15-16-17(11)4-1-5-18/h2-3,7,18H,1,4-6H2.
What are the key properties of 3-[5-[(2,4-dichlorophenyl)methyl]tetrazol-1-yl]propan-1-ol?
3-[5-[(2,4-dichlorophenyl)methyl]tetrazol-1-yl]propan-1-ol has a molecular weight of 287.15 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2,4-dichlorophenyl)methyl]tetrazol-1-yl]propan-1-ol is sourced from PubChem (CID 84759507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).