(1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol

C14H20N4O — CID 124566909

IUPAC(1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol
SMILESO[C@H](CCCCCCc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C14H20N4O/c19-13(14-15-17-18-16-14)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10,13,19H,1-2,4,7-8,11H2,(H,15,16,17,18)/t13-/m1/s1
InChIKeyZSPFISKDRLOPTJ-CYBMUJFWSA-N
MW260.34 g/mol
LogP2.43
Rot. Bonds8

About (1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol

(1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol (PubChem CID 124566909) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol.

Molecular Properties

Compound Name(1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol
PubChem CID124566909
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol
SMILESO[C@H](CCCCCCc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C14H20N4O/c19-13(14-15-17-18-16-14)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10,13,19H,1-2,4,7-8,11H2,(H,15,16,17,18)/t13-/m1/s1
InChIKeyZSPFISKDRLOPTJ-CYBMUJFWSA-N
XLogP2.43
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

15-phenylpentadecane-1,1-diol
CID 139927269
[3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid
CID 22626937
3-amino-5-(4-octylphenyl)-1-(2H-tetrazol-5-yl)pentan-1-ol;2,2,2-trifluoroacetic acid
CID 69435724
2-hydroxy-8-phenyloctanamide
CID 66822616
1-(2H-tetrazol-5-yl)butan-1-ol
CID 69249194
2-(8-phenyloctyl)propanedioic acid
CID 20544236
6-hydroxy-2-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoic acid
CID 123390760
1-[6-(6-amino-2-pyridinyl)pyridazin-3-yl]-7-phenylheptan-1-ol
CID 70929168
4-phenylbutylbenzene
CID 141301927
2-methyl-7-phenylheptan-3-ol
CID 10976646
3-[4-(pyridin-2-ylmethyl)furan-2-yl]-1-(2H-tetrazol-5-yl)propan-1-ol
CID 175238877
1-(4-chloro-1,3-oxazol-2-yl)-7-phenylheptan-1-ol
CID 58369498

Frequently Asked Questions

What is the IUPAC name of (1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol?
The IUPAC name of (1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol (CID 124566909) is (1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol.
What is the SMILES notation for (1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol?
The canonical SMILES for (1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol is O[C@H](CCCCCCc1ccccc1)c1nn[nH]n1.
What is the InChIKey of (1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol?
The InChIKey is ZSPFISKDRLOPTJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N4O/c19-13(14-15-17-18-16-14)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10,13,19H,1-2,4,7-8,11H2,(H,15,16,17,18)/t13-/m1/s1.
What are the key properties of (1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol?
(1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol is sourced from PubChem (CID 124566909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).