1-[4-chloro-2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]pentan-1-ol

C12H17ClN4O — CID 167061964

IUPAC1-[4-chloro-2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]pentan-1-ol
SMILESCCCCC(O)c1ccc(Cl)cc1C1=NNNN1
InChIInChI=1S/C12H17ClN4O/c1-2-3-4-11(18)9-6-5-8(13)7-10(9)12-14-16-17-15-12/h5-7,11,16-18H,2-4H2,1H3,(H,14,15)
InChIKeyYLJGJLXNGYIWOE-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.84
Rot. Bonds5

About 1-[4-chloro-2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]pentan-1-ol

1-[4-chloro-2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]pentan-1-ol (PubChem CID 167061964) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 1-[4-chloro-2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]pentan-1-ol.

Molecular Properties

Compound Name1-[4-chloro-2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]pentan-1-ol
PubChem CID167061964
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name1-[4-chloro-2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]pentan-1-ol
SMILESCCCCC(O)c1ccc(Cl)cc1C1=NNNN1
InChIInChI=1S/C12H17ClN4O/c1-2-3-4-11(18)9-6-5-8(13)7-10(9)12-14-16-17-15-12/h5-7,11,16-18H,2-4H2,1H3,(H,14,15)
InChIKeyYLJGJLXNGYIWOE-UHFFFAOYSA-N
XLogP1.84
TPSA68.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]pentan-1-ol?
The IUPAC name of 1-[4-chloro-2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]pentan-1-ol (CID 167061964) is 1-[4-chloro-2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]pentan-1-ol.
What is the SMILES notation for 1-[4-chloro-2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]pentan-1-ol?
The canonical SMILES for 1-[4-chloro-2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]pentan-1-ol is CCCCC(O)c1ccc(Cl)cc1C1=NNNN1.
What is the InChIKey of 1-[4-chloro-2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]pentan-1-ol?
The InChIKey is YLJGJLXNGYIWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-2-3-4-11(18)9-6-5-8(13)7-10(9)12-14-16-17-15-12/h5-7,11,16-18H,2-4H2,1H3,(H,14,15).
What are the key properties of 1-[4-chloro-2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]pentan-1-ol?
1-[4-chloro-2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]pentan-1-ol has a molecular weight of 268.75 g/mol, XLogP of 1.84, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]pentan-1-ol is sourced from PubChem (CID 167061964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).