4-[2-hydroxy-3-[1-(3-methoxyphenoxy)propan-2-ylamino]propoxy]phenol

C19H25NO5 — CID 70552130

IUPAC4-[2-hydroxy-3-[1-(3-methoxyphenoxy)propan-2-ylamino]propoxy]phenol
SMILESCOc1cccc(OCC(C)NCC(O)COc2ccc(O)cc2)c1
InChIInChI=1S/C19H25NO5/c1-14(12-24-19-5-3-4-18(10-19)23-2)20-11-16(22)13-25-17-8-6-15(21)7-9-17/h3-10,14,16,20-22H,11-13H2,1-2H3
InChIKeyXKWYUTYDNFXFFW-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.20
Rot. Bonds10

About 4-[2-hydroxy-3-[1-(3-methoxyphenoxy)propan-2-ylamino]propoxy]phenol

4-[2-hydroxy-3-[1-(3-methoxyphenoxy)propan-2-ylamino]propoxy]phenol (PubChem CID 70552130) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is 4-[2-hydroxy-3-[1-(3-methoxyphenoxy)propan-2-ylamino]propoxy]phenol.

Molecular Properties

Compound Name4-[2-hydroxy-3-[1-(3-methoxyphenoxy)propan-2-ylamino]propoxy]phenol
PubChem CID70552130
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name4-[2-hydroxy-3-[1-(3-methoxyphenoxy)propan-2-ylamino]propoxy]phenol
SMILESCOc1cccc(OCC(C)NCC(O)COc2ccc(O)cc2)c1
InChIInChI=1S/C19H25NO5/c1-14(12-24-19-5-3-4-18(10-19)23-2)20-11-16(22)13-25-17-8-6-15(21)7-9-17/h3-10,14,16,20-22H,11-13H2,1-2H3
InChIKeyXKWYUTYDNFXFFW-UHFFFAOYSA-N
XLogP2.20
TPSA80.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60909725
1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64642037
(2S)-1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 39826278
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841183
1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol
CID 60909460
3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-4-methoxybutan-1-ol
CID 106159850
1-(2,2-difluoroethylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 115406734
2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 62518668
1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 62200405
1-(3-methoxyphenoxy)-5-methylhexan-2-ol
CID 157099262
2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide
CID 61219801

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-[1-(3-methoxyphenoxy)propan-2-ylamino]propoxy]phenol?
The IUPAC name of 4-[2-hydroxy-3-[1-(3-methoxyphenoxy)propan-2-ylamino]propoxy]phenol (CID 70552130) is 4-[2-hydroxy-3-[1-(3-methoxyphenoxy)propan-2-ylamino]propoxy]phenol.
What is the SMILES notation for 4-[2-hydroxy-3-[1-(3-methoxyphenoxy)propan-2-ylamino]propoxy]phenol?
The canonical SMILES for 4-[2-hydroxy-3-[1-(3-methoxyphenoxy)propan-2-ylamino]propoxy]phenol is COc1cccc(OCC(C)NCC(O)COc2ccc(O)cc2)c1.
What is the InChIKey of 4-[2-hydroxy-3-[1-(3-methoxyphenoxy)propan-2-ylamino]propoxy]phenol?
The InChIKey is XKWYUTYDNFXFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-14(12-24-19-5-3-4-18(10-19)23-2)20-11-16(22)13-25-17-8-6-15(21)7-9-17/h3-10,14,16,20-22H,11-13H2,1-2H3.
What are the key properties of 4-[2-hydroxy-3-[1-(3-methoxyphenoxy)propan-2-ylamino]propoxy]phenol?
4-[2-hydroxy-3-[1-(3-methoxyphenoxy)propan-2-ylamino]propoxy]phenol has a molecular weight of 347.41 g/mol, XLogP of 2.20, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-[1-(3-methoxyphenoxy)propan-2-ylamino]propoxy]phenol is sourced from PubChem (CID 70552130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).