(2S)-1-[(4-chlorophenyl)methoxy]-3-[5-(4-chlorophenyl)tetrazol-2-yl]propan-2-ol

C17H16Cl2N4O2 — CID 32556840

IUPAC(2S)-1-[(4-chlorophenyl)methoxy]-3-[5-(4-chlorophenyl)tetrazol-2-yl]propan-2-ol
SMILESO[C@H](COCc1ccc(Cl)cc1)Cn1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H16Cl2N4O2/c18-14-5-1-12(2-6-14)10-25-11-16(24)9-23-21-17(20-22-23)13-3-7-15(19)8-4-13/h1-8,16,24H,9-11H2/t16-/m0/s1
InChIKeyNCCHTXQOKGSQDT-INIZCTEOSA-N
MW379.25 g/mol
LogP3.22
Rot. Bonds7

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

(2S)-1-[(4-chlorophenyl)methoxy]-3-[5-(4-chlorophenyl)tetrazol-2-yl]propan-2-ol (PubChem CID 32556840) has the molecular formula C17H16Cl2N4O2 and a molecular weight of 379.25 g/mol. Its IUPAC name is (2S)-1-[(4-chlorophenyl)methoxy]-3-[5-(4-chlorophenyl)tetrazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(4-chlorophenyl)methoxy]-3-[5-(4-chlorophenyl)tetrazol-2-yl]propan-2-ol
PubChem CID32556840
Molecular FormulaC17H16Cl2N4O2
Molecular Weight379.25 g/mol
Exact Mass378.07
IUPAC Name(2S)-1-[(4-chlorophenyl)methoxy]-3-[5-(4-chlorophenyl)tetrazol-2-yl]propan-2-ol
SMILESO[C@H](COCc1ccc(Cl)cc1)Cn1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H16Cl2N4O2/c18-14-5-1-12(2-6-14)10-25-11-16(24)9-23-21-17(20-22-23)13-3-7-15(19)8-4-13/h1-8,16,24H,9-11H2/t16-/m0/s1
InChIKeyNCCHTXQOKGSQDT-INIZCTEOSA-N
XLogP3.22
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-[(4-chlorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 94822276
(2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol
CID 32768070
4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 24654123
(2S)-1-[5-(4-methylphenyl)tetrazol-2-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 32532141
1-[(4-chlorophenyl)methoxy]-3-(4-chloropyrazol-1-yl)propan-2-ol
CID 109411868
4-[2-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 30749496
4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 42942047
(2R)-1-[(4-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1,2,4-triazol-1-yl)propan-2-ol
CID 99780430
(2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 30136047
1-[(4-chlorophenyl)methoxy]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 109411681
1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 16553417
(2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 94820762

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-chlorophenyl)methoxy]-3-[5-(4-chlorophenyl)tetrazol-2-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(4-chlorophenyl)methoxy]-3-[5-(4-chlorophenyl)tetrazol-2-yl]propan-2-ol (CID 32556840) is (2S)-1-[(4-chlorophenyl)methoxy]-3-[5-(4-chlorophenyl)tetrazol-2-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(4-chlorophenyl)methoxy]-3-[5-(4-chlorophenyl)tetrazol-2-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(4-chlorophenyl)methoxy]-3-[5-(4-chlorophenyl)tetrazol-2-yl]propan-2-ol is O[C@H](COCc1ccc(Cl)cc1)Cn1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of (2S)-1-[(4-chlorophenyl)methoxy]-3-[5-(4-chlorophenyl)tetrazol-2-yl]propan-2-ol?
The InChIKey is NCCHTXQOKGSQDT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2/c18-14-5-1-12(2-6-14)10-25-11-16(24)9-23-21-17(20-22-23)13-3-7-15(19)8-4-13/h1-8,16,24H,9-11H2/t16-/m0/s1.
What are the key properties of (2S)-1-[(4-chlorophenyl)methoxy]-3-[5-(4-chlorophenyl)tetrazol-2-yl]propan-2-ol?
(2S)-1-[(4-chlorophenyl)methoxy]-3-[5-(4-chlorophenyl)tetrazol-2-yl]propan-2-ol has a molecular weight of 379.25 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-chlorophenyl)methoxy]-3-[5-(4-chlorophenyl)tetrazol-2-yl]propan-2-ol is sourced from PubChem (CID 32556840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).