(2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol

C17H17ClN4O2 — CID 32768070

IUPAC(2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol
SMILESCc1ccc(-c2nnn(C[C@H](O)COc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H17ClN4O2/c1-12-2-4-13(5-3-12)17-19-21-22(20-17)10-15(23)11-24-16-8-6-14(18)7-9-16/h2-9,15,23H,10-11H2,1H3/t15-/m0/s1
InChIKeyGRVBZSNQNXBPGZ-HNNXBMFYSA-N
MW344.80 g/mol
LogP2.74
Rot. Bonds6

About (2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol

(2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol (PubChem CID 32768070) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol
PubChem CID32768070
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name(2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol
SMILESCc1ccc(-c2nnn(C[C@H](O)COc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H17ClN4O2/c1-12-2-4-13(5-3-12)17-19-21-22(20-17)10-15(23)11-24-16-8-6-14(18)7-9-16/h2-9,15,23H,10-11H2,1H3/t15-/m0/s1
InChIKeyGRVBZSNQNXBPGZ-HNNXBMFYSA-N
XLogP2.74
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol with MolForge

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Related Compounds

(2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 30136047
1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 51094188
(2R)-1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94817374
(2S)-1-[(4-chlorophenyl)methoxy]-3-[5-(4-chlorophenyl)tetrazol-2-yl]propan-2-ol
CID 32556840
4-[2-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]tetrazol-5-yl]benzamide
CID 30661571
(2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94797788
4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile
CID 51309608
(2S)-1-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-3-(4-phenoxyphenoxy)propan-2-ol
CID 51933554
4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid
CID 139351628
4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 42942047
1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 60609546
(2S)-3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]-2-methylpropanoic acid
CID 167651898

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol?
The IUPAC name of (2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol (CID 32768070) is (2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol is Cc1ccc(-c2nnn(C[C@H](O)COc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of (2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol?
The InChIKey is GRVBZSNQNXBPGZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-12-2-4-13(5-3-12)17-19-21-22(20-17)10-15(23)11-24-16-8-6-14(18)7-9-16/h2-9,15,23H,10-11H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol?
(2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol has a molecular weight of 344.80 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol is sourced from PubChem (CID 32768070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).