(1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol

C13H17ClN4O — CID 163289289

IUPAC(1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol
SMILESCCCCC[C@@H](O)c1ccc(Cl)cc1-c1nn[nH]n1
InChIInChI=1S/C13H17ClN4O/c1-2-3-4-5-12(19)10-7-6-9(14)8-11(10)13-15-17-18-16-13/h6-8,12,19H,2-5H2,1H3,(H,15,16,17,18)/t12-/m1/s1
InChIKeySGMKXKFTNFCNGQ-GFCCVEGCSA-N
MW280.76 g/mol
LogP3.13
Rot. Bonds6

About (1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol

(1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol (PubChem CID 163289289) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is (1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol.

Molecular Properties

Compound Name(1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol
PubChem CID163289289
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name(1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol
SMILESCCCCC[C@@H](O)c1ccc(Cl)cc1-c1nn[nH]n1
InChIInChI=1S/C13H17ClN4O/c1-2-3-4-5-12(19)10-7-6-9(14)8-11(10)13-15-17-18-16-13/h6-8,12,19H,2-5H2,1H3,(H,15,16,17,18)/t12-/m1/s1
InChIKeySGMKXKFTNFCNGQ-GFCCVEGCSA-N
XLogP3.13
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 53.13
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

(1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol
CID 163289288
CID 175722071
CID 175722071
1-[4-chloro-2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]pentan-1-ol
CID 167061964
1-(5-chloro-2-methylphenyl)decan-1-ol
CID 115783029
potassium 1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-olate
CID 156693773
N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-pentylindole-2-carboxamide
CID 67551620
5-(5-bromo-2-hexylphenyl)-2H-tetrazole
CID 167061824
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
5-(5-fluoro-2-propan-2-ylphenyl)-2H-tetrazole
CID 169269212
1-(4-amino-2-chlorophenyl)octan-1-ol
CID 112736197
N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-(dipropylsulfamoyl)benzamide
CID 42630773

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol?
The IUPAC name of (1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol (CID 163289289) is (1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol.
What is the SMILES notation for (1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol?
The canonical SMILES for (1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol is CCCCC[C@@H](O)c1ccc(Cl)cc1-c1nn[nH]n1.
What is the InChIKey of (1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol?
The InChIKey is SGMKXKFTNFCNGQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-2-3-4-5-12(19)10-7-6-9(14)8-11(10)13-15-17-18-16-13/h6-8,12,19H,2-5H2,1H3,(H,15,16,17,18)/t12-/m1/s1.
What are the key properties of (1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol?
(1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol has a molecular weight of 280.76 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol is sourced from PubChem (CID 163289289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).