4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]-2-methoxyphenol;hydrochloride

C19H26ClNO4 — CID 26647

IUPAC4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]-2-methoxyphenol;hydrochloride
SMILESCOc1cc(C(O)C(C)NC(C)COc2ccccc2)ccc1O.Cl
InChIInChI=1S/C19H25NO4.ClH/c1-13(12-24-16-7-5-4-6-8-16)20-14(2)19(22)15-9-10-17(21)18(11-15)23-3;/h4-11,13-14,19-22H,12H2,1-3H3;1H
InChIKeyJJVQCNOKKOBJRQ-UHFFFAOYSA-N
MW367.87 g/mol
LogP3.30
Rot. Bonds8

About 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]-2-methoxyphenol;hydrochloride

4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]-2-methoxyphenol;hydrochloride (PubChem CID 26647) has the molecular formula C19H26ClNO4 and a molecular weight of 367.87 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]-2-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]-2-methoxyphenol;hydrochloride
PubChem CID26647
Molecular FormulaC19H26ClNO4
Molecular Weight367.87 g/mol
Exact Mass367.16
IUPAC Name4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]-2-methoxyphenol;hydrochloride
SMILESCOc1cc(C(O)C(C)NC(C)COc2ccccc2)ccc1O.Cl
InChIInChI=1S/C19H25NO4.ClH/c1-13(12-24-16-7-5-4-6-8-16)20-14(2)19(22)15-9-10-17(21)18(11-15)23-3;/h4-11,13-14,19-22H,12H2,1-3H3;1H
InChIKeyJJVQCNOKKOBJRQ-UHFFFAOYSA-N
XLogP3.30
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.87
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]-2-methoxyphenol;hydrochloride?
The IUPAC name of 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]-2-methoxyphenol;hydrochloride (CID 26647) is 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]-2-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]-2-methoxyphenol;hydrochloride?
The canonical SMILES for 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]-2-methoxyphenol;hydrochloride is COc1cc(C(O)C(C)NC(C)COc2ccccc2)ccc1O.Cl.
What is the InChIKey of 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]-2-methoxyphenol;hydrochloride?
The InChIKey is JJVQCNOKKOBJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4.ClH/c1-13(12-24-16-7-5-4-6-8-16)20-14(2)19(22)15-9-10-17(21)18(11-15)23-3;/h4-11,13-14,19-22H,12H2,1-3H3;1H.
What are the key properties of 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]-2-methoxyphenol;hydrochloride?
4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]-2-methoxyphenol;hydrochloride has a molecular weight of 367.87 g/mol, XLogP of 3.30, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]-2-methoxyphenol;hydrochloride is sourced from PubChem (CID 26647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).