3-[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]propan-1-ol

C11H13ClN4O — CID 84759511

IUPAC3-[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]propan-1-ol
SMILESOCCCn1nnnc1Cc1cccc(Cl)c1
InChIInChI=1S/C11H13ClN4O/c12-10-4-1-3-9(7-10)8-11-13-14-15-16(11)5-2-6-17/h1,3-4,7,17H,2,5-6,8H2
InChIKeyOFKFCTVVCIEZSJ-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.30
Rot. Bonds5

About 3-[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]propan-1-ol

3-[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]propan-1-ol (PubChem CID 84759511) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is 3-[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]propan-1-ol
PubChem CID84759511
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name3-[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]propan-1-ol
SMILESOCCCn1nnnc1Cc1cccc(Cl)c1
InChIInChI=1S/C11H13ClN4O/c12-10-4-1-3-9(7-10)8-11-13-14-15-16(11)5-2-6-17/h1,3-4,7,17H,2,5-6,8H2
InChIKeyOFKFCTVVCIEZSJ-UHFFFAOYSA-N
XLogP1.30
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-benzyltetrazol-1-yl)propan-1-ol
CID 84759521
3-[5-[(2,4-dichlorophenyl)methyl]tetrazol-1-yl]propan-1-ol
CID 84759507
3-[5-[(4-bromophenyl)methyl]tetrazol-1-yl]propan-1-ol
CID 84759536
3-[[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid
CID 81067300
5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)tetrazole
CID 6457710
4-[5-[(3-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]butan-1-amine
CID 106387282
5-bromo-1-[(3-chlorophenyl)methyl]tetrazole
CID 82093565
3-[5-(2,6-difluorophenyl)tetrazol-1-yl]propan-1-ol
CID 84759516
1-butyl-5-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]tetrazole
CID 7716257
3-[5-[(3-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid
CID 66040608
3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol
CID 84759563
4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine
CID 114182232

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]propan-1-ol (CID 84759511) is 3-[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]propan-1-ol is OCCCn1nnnc1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]propan-1-ol?
The InChIKey is OFKFCTVVCIEZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c12-10-4-1-3-9(7-10)8-11-13-14-15-16(11)5-2-6-17/h1,3-4,7,17H,2,5-6,8H2.
What are the key properties of 3-[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]propan-1-ol?
3-[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]propan-1-ol has a molecular weight of 252.71 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]propan-1-ol is sourced from PubChem (CID 84759511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).