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

C12H15ClN4O — CID 163289288

IUPAC(1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol
SMILESCCCC[C@@H](O)c1ccc(Cl)cc1-c1nn[nH]n1
InChIInChI=1S/C12H15ClN4O/c1-2-3-4-11(18)9-6-5-8(13)7-10(9)12-14-16-17-15-12/h5-7,11,18H,2-4H2,1H3,(H,14,15,16,17)/t11-/m1/s1
InChIKeyDTTARXDGGBQTNS-LLVKDONJSA-N
MW266.73 g/mol
LogP2.74
Rot. Bonds5

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

(1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol (PubChem CID 163289288) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is (1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol.

Molecular Properties

Compound Name(1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol
PubChem CID163289288
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name(1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol
SMILESCCCC[C@@H](O)c1ccc(Cl)cc1-c1nn[nH]n1
InChIInChI=1S/C12H15ClN4O/c1-2-3-4-11(18)9-6-5-8(13)7-10(9)12-14-16-17-15-12/h5-7,11,18H,2-4H2,1H3,(H,14,15,16,17)/t11-/m1/s1
InChIKeyDTTARXDGGBQTNS-LLVKDONJSA-N
XLogP2.74
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol
CID 163289289
CID 175722071
CID 175722071
1-[4-chloro-2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]pentan-1-ol
CID 167061964
potassium 1-[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pentan-1-olate
CID 156693773
N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-(dipropylsulfamoyl)benzamide
CID 42630773
N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-pentylindole-2-carboxamide
CID 67551620
(2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol
CID 147495518
1-(5-chloro-2-methylphenyl)decan-1-ol
CID 115783029
2-[[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylamino]hexanoic acid
CID 122069985
5-(5-fluoro-2-propan-2-ylphenyl)-2H-tetrazole
CID 169269212
1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol
CID 55200196
1-(2,4,5-trifluorophenyl)pentan-1-ol
CID 19885905

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol?
The IUPAC name of (1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol (CID 163289288) is (1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol.
What is the SMILES notation for (1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol?
The canonical SMILES for (1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol is CCCC[C@@H](O)c1ccc(Cl)cc1-c1nn[nH]n1.
What is the InChIKey of (1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol?
The InChIKey is DTTARXDGGBQTNS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-2-3-4-11(18)9-6-5-8(13)7-10(9)12-14-16-17-15-12/h5-7,11,18H,2-4H2,1H3,(H,14,15,16,17)/t11-/m1/s1.
What are the key properties of (1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol?
(1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol has a molecular weight of 266.73 g/mol, XLogP of 2.74, 5 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]pentan-1-ol is sourced from PubChem (CID 163289288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).