(2S)-1-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-3-(4-phenoxyphenoxy)propan-2-ol

C24H24N4O5 — CID 51933554

IUPAC(2S)-1-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-3-(4-phenoxyphenoxy)propan-2-ol
SMILESCOc1ccc(-c2nnn(C[C@H](O)COc3ccc(Oc4ccccc4)cc3)n2)cc1OC
InChIInChI=1S/C24H24N4O5/c1-30-22-13-8-17(14-23(22)31-2)24-25-27-28(26-24)15-18(29)16-32-19-9-11-21(12-10-19)33-20-6-4-3-5-7-20/h3-14,18,29H,15-16H2,1-2H3/t18-/m0/s1
InChIKeyNRSGQLHDJQBAHI-SFHVURJKSA-N
MW448.48 g/mol
LogP3.59
Rot. Bonds10

About (2S)-1-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-3-(4-phenoxyphenoxy)propan-2-ol

(2S)-1-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-3-(4-phenoxyphenoxy)propan-2-ol (PubChem CID 51933554) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is (2S)-1-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-3-(4-phenoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-3-(4-phenoxyphenoxy)propan-2-ol
PubChem CID51933554
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name(2S)-1-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-3-(4-phenoxyphenoxy)propan-2-ol
SMILESCOc1ccc(-c2nnn(C[C@H](O)COc3ccc(Oc4ccccc4)cc3)n2)cc1OC
InChIInChI=1S/C24H24N4O5/c1-30-22-13-8-17(14-23(22)31-2)24-25-27-28(26-24)15-18(29)16-32-19-9-11-21(12-10-19)33-20-6-4-3-5-7-20/h3-14,18,29H,15-16H2,1-2H3/t18-/m0/s1
InChIKeyNRSGQLHDJQBAHI-SFHVURJKSA-N
XLogP3.59
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (2S)-1-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-3-(4-phenoxyphenoxy)propan-2-ol with MolForge

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Related Compounds

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
(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
(2R)-1-phenoxy-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 94800635
4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile
CID 51309608
5-(3,4-dimethoxyphenyl)-2-[(2-phenoxyphenyl)methyl]tetrazole
CID 7467433
(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
1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 60609546
4-[2-hydroxy-3-(5-methyltetrazol-2-yl)propoxy]benzoic acid
CID 139351628
4-[(2R)-3-(5-ethyltetrazol-2-yl)-2-hydroxypropoxy]benzoic acid
CID 156622018

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-3-(4-phenoxyphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-3-(4-phenoxyphenoxy)propan-2-ol (CID 51933554) is (2S)-1-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-3-(4-phenoxyphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-3-(4-phenoxyphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-3-(4-phenoxyphenoxy)propan-2-ol is COc1ccc(-c2nnn(C[C@H](O)COc3ccc(Oc4ccccc4)cc3)n2)cc1OC.
What is the InChIKey of (2S)-1-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-3-(4-phenoxyphenoxy)propan-2-ol?
The InChIKey is NRSGQLHDJQBAHI-SFHVURJKSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-30-22-13-8-17(14-23(22)31-2)24-25-27-28(26-24)15-18(29)16-32-19-9-11-21(12-10-19)33-20-6-4-3-5-7-20/h3-14,18,29H,15-16H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-1-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-3-(4-phenoxyphenoxy)propan-2-ol?
(2S)-1-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-3-(4-phenoxyphenoxy)propan-2-ol has a molecular weight of 448.48 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-3-(4-phenoxyphenoxy)propan-2-ol is sourced from PubChem (CID 51933554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).