4-[(1S,2S)-1-hydroxy-2-[[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]amino]propyl]phenol

C22H25NO4 — CID 7872772

IUPAC4-[(1S,2S)-1-hydroxy-2-[[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]amino]propyl]phenol
SMILESC[C@H](NC[C@H](O)COc1ccc2ccccc2c1)[C@@H](O)c1ccc(O)cc1
InChIInChI=1S/C22H25NO4/c1-15(22(26)17-6-9-19(24)10-7-17)23-13-20(25)14-27-21-11-8-16-4-2-3-5-18(16)12-21/h2-12,15,20,22-26H,13-14H2,1H3/t15-,20-,22+/m0/s1
InChIKeyJMVYEBIJCGPPPF-GJULWVSJSA-N
MW367.45 g/mol
LogP3.00
Rot. Bonds8

About 4-[(1S,2S)-1-hydroxy-2-[[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]amino]propyl]phenol

4-[(1S,2S)-1-hydroxy-2-[[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]amino]propyl]phenol (PubChem CID 7872772) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[(1S,2S)-1-hydroxy-2-[[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]amino]propyl]phenol.

Molecular Properties

Compound Name4-[(1S,2S)-1-hydroxy-2-[[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]amino]propyl]phenol
PubChem CID7872772
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name4-[(1S,2S)-1-hydroxy-2-[[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]amino]propyl]phenol
SMILESC[C@H](NC[C@H](O)COc1ccc2ccccc2c1)[C@@H](O)c1ccc(O)cc1
InChIInChI=1S/C22H25NO4/c1-15(22(26)17-6-9-19(24)10-7-17)23-13-20(25)14-27-21-11-8-16-4-2-3-5-18(16)12-21/h2-12,15,20,22-26H,13-14H2,1H3/t15-,20-,22+/m0/s1
InChIKeyJMVYEBIJCGPPPF-GJULWVSJSA-N
XLogP3.00
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[(1S,2S)-1-hydroxy-2-[[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]amino]propyl]phenol with MolForge

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Related Compounds

4-[(1S,2R)-1-hydroxy-2-[[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]amino]propyl]phenol
CID 2537566
1-[3-[(2R)-2-hydroxy-3-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]propoxy]phenyl]ethanone
CID 129377503
4-[1-hydroxy-2-[[2-hydroxy-3-(3,4,5-trimethoxyphenoxy)propyl]amino]propyl]phenol
CID 110182737
(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2769824
4-[(1R,2S)-2-[[(2R)-1-((1,2,3,4,5,6-13C6)cyclohexatrienyloxy)propan-2-yl]amino]-1-hydroxypropyl]phenol
CID 164517017
1-naphthalen-2-yloxypropan-2-ol
CID 2793897
4-[(1R)-1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol chloride
CID 45114085
(2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 917554
1-naphthalen-2-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride
CID 138961159
4-[2-hydroxy-3-[1-(3-methoxyphenoxy)propan-2-ylamino]propoxy]phenol
CID 70552130

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-1-hydroxy-2-[[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]amino]propyl]phenol?
The IUPAC name of 4-[(1S,2S)-1-hydroxy-2-[[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]amino]propyl]phenol (CID 7872772) is 4-[(1S,2S)-1-hydroxy-2-[[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]amino]propyl]phenol.
What is the SMILES notation for 4-[(1S,2S)-1-hydroxy-2-[[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]amino]propyl]phenol?
The canonical SMILES for 4-[(1S,2S)-1-hydroxy-2-[[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]amino]propyl]phenol is C[C@H](NC[C@H](O)COc1ccc2ccccc2c1)[C@@H](O)c1ccc(O)cc1.
What is the InChIKey of 4-[(1S,2S)-1-hydroxy-2-[[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]amino]propyl]phenol?
The InChIKey is JMVYEBIJCGPPPF-GJULWVSJSA-N. The full InChI is InChI=1S/C22H25NO4/c1-15(22(26)17-6-9-19(24)10-7-17)23-13-20(25)14-27-21-11-8-16-4-2-3-5-18(16)12-21/h2-12,15,20,22-26H,13-14H2,1H3/t15-,20-,22+/m0/s1.
What are the key properties of 4-[(1S,2S)-1-hydroxy-2-[[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]amino]propyl]phenol?
4-[(1S,2S)-1-hydroxy-2-[[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]amino]propyl]phenol has a molecular weight of 367.45 g/mol, XLogP of 3.00, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-1-hydroxy-2-[[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]amino]propyl]phenol is sourced from PubChem (CID 7872772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).