1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol

C17H18N4O3 — CID 51094188

IUPAC1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
SMILESCOc1ccc(OCC(O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H18N4O3/c1-23-15-7-9-16(10-8-15)24-12-14(22)11-21-19-17(18-20-21)13-5-3-2-4-6-13/h2-10,14,22H,11-12H2,1H3
InChIKeyCSWKKWOBWMQAFK-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.79
Rot. Bonds7

About 1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol

1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol (PubChem CID 51094188) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
PubChem CID51094188
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
SMILESCOc1ccc(OCC(O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H18N4O3/c1-23-15-7-9-16(10-8-15)24-12-14(22)11-21-19-17(18-20-21)13-5-3-2-4-6-13/h2-10,14,22H,11-12H2,1H3
InChIKeyCSWKKWOBWMQAFK-UHFFFAOYSA-N
XLogP1.79
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94817374
(2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 30136047
(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
(2R)-1-phenoxy-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 94800635
(2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol
CID 32768070
4-[2-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]tetrazol-5-yl]benzamide
CID 30661571
(2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 7233521
4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid
CID 139351628
1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 60609546
1-(2-methoxyethylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 115475590

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol?
The IUPAC name of 1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol (CID 51094188) is 1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol is COc1ccc(OCC(O)Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol?
The InChIKey is CSWKKWOBWMQAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-23-15-7-9-16(10-8-15)24-12-14(22)11-21-19-17(18-20-21)13-5-3-2-4-6-13/h2-10,14,22H,11-12H2,1H3.
What are the key properties of 1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol?
1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol has a molecular weight of 326.36 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol is sourced from PubChem (CID 51094188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).