4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-1-(4-hydroxyphenyl)-3-phenylpropyl]phenol

C30H31NO4 — CID 91502004

IUPAC4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-1-(4-hydroxyphenyl)-3-phenylpropyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)C(Cc2ccccc2)NC[C@H](O)COc2ccccc2)cc1
InChIInChI=1S/C30H31NO4/c32-25-15-11-23(12-16-25)30(24-13-17-26(33)18-14-24)29(19-22-7-3-1-4-8-22)31-20-27(34)21-35-28-9-5-2-6-10-28/h1-18,27,29-34H,19-21H2/t27-,29?/m0/s1
InChIKeyUCIDKCNLWAOLOS-BVOOQYFDSA-N
MW469.58 g/mol
LogP4.87
Rot. Bonds11

About 4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-1-(4-hydroxyphenyl)-3-phenylpropyl]phenol

4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-1-(4-hydroxyphenyl)-3-phenylpropyl]phenol (PubChem CID 91502004) has the molecular formula C30H31NO4 and a molecular weight of 469.58 g/mol. Its IUPAC name is 4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-1-(4-hydroxyphenyl)-3-phenylpropyl]phenol.

Molecular Properties

Compound Name4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-1-(4-hydroxyphenyl)-3-phenylpropyl]phenol
PubChem CID91502004
Molecular FormulaC30H31NO4
Molecular Weight469.58 g/mol
Exact Mass469.23
IUPAC Name4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-1-(4-hydroxyphenyl)-3-phenylpropyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)C(Cc2ccccc2)NC[C@H](O)COc2ccccc2)cc1
InChIInChI=1S/C30H31NO4/c32-25-15-11-23(12-16-25)30(24-13-17-26(33)18-14-24)29(19-22-7-3-1-4-8-22)31-20-27(34)21-35-28-9-5-2-6-10-28/h1-18,27,29-34H,19-21H2/t27-,29?/m0/s1
InChIKeyUCIDKCNLWAOLOS-BVOOQYFDSA-N
XLogP4.87
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 54.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-1-(4-hydroxyphenyl)-3-phenylpropyl]phenol with MolForge

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Related Compounds

(2S)-1-(3-amino-4-phenylmethoxyphenoxy)-3-[[3-phenyl-1,1-bis(4-phenylmethoxyphenyl)propan-2-yl]amino]propan-2-ol
CID 91107546
(2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 40548644
(2S)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 40548634
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol
CID 12541329
(2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol
CID 70462176
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
(2S)-1-[[1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 22863117
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate
CID 102235547
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
(3S)-3-[4-[(2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]butanoic acid
CID 67905873
1-[4-[[2-hydroxy-3-(propan-2-ylamino)propoxy]-phenylmethoxymethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 175022615

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-1-(4-hydroxyphenyl)-3-phenylpropyl]phenol?
The IUPAC name of 4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-1-(4-hydroxyphenyl)-3-phenylpropyl]phenol (CID 91502004) is 4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-1-(4-hydroxyphenyl)-3-phenylpropyl]phenol.
What is the SMILES notation for 4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-1-(4-hydroxyphenyl)-3-phenylpropyl]phenol?
The canonical SMILES for 4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-1-(4-hydroxyphenyl)-3-phenylpropyl]phenol is Oc1ccc(C(c2ccc(O)cc2)C(Cc2ccccc2)NC[C@H](O)COc2ccccc2)cc1.
What is the InChIKey of 4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-1-(4-hydroxyphenyl)-3-phenylpropyl]phenol?
The InChIKey is UCIDKCNLWAOLOS-BVOOQYFDSA-N. The full InChI is InChI=1S/C30H31NO4/c32-25-15-11-23(12-16-25)30(24-13-17-26(33)18-14-24)29(19-22-7-3-1-4-8-22)31-20-27(34)21-35-28-9-5-2-6-10-28/h1-18,27,29-34H,19-21H2/t27-,29?/m0/s1.
What are the key properties of 4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-1-(4-hydroxyphenyl)-3-phenylpropyl]phenol?
4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-1-(4-hydroxyphenyl)-3-phenylpropyl]phenol has a molecular weight of 469.58 g/mol, XLogP of 4.87, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-1-(4-hydroxyphenyl)-3-phenylpropyl]phenol is sourced from PubChem (CID 91502004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).