7-[2-hydroxy-3-(2-phenylethylamino)propoxy]-2-phenylchromen-4-one;hydrochloride

C26H26ClNO4 — CID 14626307

IUPAC7-[2-hydroxy-3-(2-phenylethylamino)propoxy]-2-phenylchromen-4-one;hydrochloride
SMILESCl.O=c1cc(-c2ccccc2)oc2cc(OCC(O)CNCCc3ccccc3)ccc12
InChIInChI=1S/C26H25NO4.ClH/c28-21(17-27-14-13-19-7-3-1-4-8-19)18-30-22-11-12-23-24(29)16-25(31-26(23)15-22)20-9-5-2-6-10-20;/h1-12,15-16,21,27-28H,13-14,17-18H2;1H
InChIKeyARFLYRVQKJQSQP-UHFFFAOYSA-N
MW451.95 g/mol
LogP4.45
Rot. Bonds9

About 7-[2-hydroxy-3-(2-phenylethylamino)propoxy]-2-phenylchromen-4-one;hydrochloride

7-[2-hydroxy-3-(2-phenylethylamino)propoxy]-2-phenylchromen-4-one;hydrochloride (PubChem CID 14626307) has the molecular formula C26H26ClNO4 and a molecular weight of 451.95 g/mol. Its IUPAC name is 7-[2-hydroxy-3-(2-phenylethylamino)propoxy]-2-phenylchromen-4-one;hydrochloride.

Molecular Properties

Compound Name7-[2-hydroxy-3-(2-phenylethylamino)propoxy]-2-phenylchromen-4-one;hydrochloride
PubChem CID14626307
Molecular FormulaC26H26ClNO4
Molecular Weight451.95 g/mol
Exact Mass451.16
IUPAC Name7-[2-hydroxy-3-(2-phenylethylamino)propoxy]-2-phenylchromen-4-one;hydrochloride
SMILESCl.O=c1cc(-c2ccccc2)oc2cc(OCC(O)CNCCc3ccccc3)ccc12
InChIInChI=1S/C26H25NO4.ClH/c28-21(17-27-14-13-19-7-3-1-4-8-19)18-30-22-11-12-23-24(29)16-25(31-26(23)15-22)20-9-5-2-6-10-20;/h1-12,15-16,21,27-28H,13-14,17-18H2;1H
InChIKeyARFLYRVQKJQSQP-UHFFFAOYSA-N
XLogP4.45
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.95
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

bis[1-[2-[4-(2-methoxy-2-oxoethoxy)phenyl]ethylamino]-3-(4-oxo-2-phenylchromen-7-yl)oxypropan-2-yl] (Z)-but-2-enedioate
CID 88618410
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
3-benzyl-7-[2-hydroxy-3-(propylamino)propoxy]-2-phenylchromen-4-one
CID 13370638
bis[1-(4-oxo-2-phenylchromen-7-yl)oxy-3-(2-thiophen-2-ylethylamino)propan-2-yl] (Z)-but-2-enedioate
CID 88618409
[1-(4-oxo-2-phenylchromen-7-yl)oxy-3-(propan-2-ylamino)propan-2-yl] benzoate
CID 14373562
7-(aminomethoxy)-2-phenylchromen-4-one
CID 88981514
(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
CID 2114693
7-(3-anilino-2-hydroxypropoxy)-2,3-diphenylchromen-4-one
CID 14626335
2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenoxy]acetic acid
CID 15714008
7-[(2R)-3-amino-2-hydroxy-4-methylpentoxy]-2-[3,5-bis(phenylmethoxy)phenyl]chromen-4-one
CID 67050427
2-benzyl-7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-phenylchromen-4-one
CID 10072111
7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxy-2-phenylchromen-4-one
CID 14408569

Frequently Asked Questions

What is the IUPAC name of 7-[2-hydroxy-3-(2-phenylethylamino)propoxy]-2-phenylchromen-4-one;hydrochloride?
The IUPAC name of 7-[2-hydroxy-3-(2-phenylethylamino)propoxy]-2-phenylchromen-4-one;hydrochloride (CID 14626307) is 7-[2-hydroxy-3-(2-phenylethylamino)propoxy]-2-phenylchromen-4-one;hydrochloride.
What is the SMILES notation for 7-[2-hydroxy-3-(2-phenylethylamino)propoxy]-2-phenylchromen-4-one;hydrochloride?
The canonical SMILES for 7-[2-hydroxy-3-(2-phenylethylamino)propoxy]-2-phenylchromen-4-one;hydrochloride is Cl.O=c1cc(-c2ccccc2)oc2cc(OCC(O)CNCCc3ccccc3)ccc12.
What is the InChIKey of 7-[2-hydroxy-3-(2-phenylethylamino)propoxy]-2-phenylchromen-4-one;hydrochloride?
The InChIKey is ARFLYRVQKJQSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4.ClH/c28-21(17-27-14-13-19-7-3-1-4-8-19)18-30-22-11-12-23-24(29)16-25(31-26(23)15-22)20-9-5-2-6-10-20;/h1-12,15-16,21,27-28H,13-14,17-18H2;1H.
What are the key properties of 7-[2-hydroxy-3-(2-phenylethylamino)propoxy]-2-phenylchromen-4-one;hydrochloride?
7-[2-hydroxy-3-(2-phenylethylamino)propoxy]-2-phenylchromen-4-one;hydrochloride has a molecular weight of 451.95 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-hydroxy-3-(2-phenylethylamino)propoxy]-2-phenylchromen-4-one;hydrochloride is sourced from PubChem (CID 14626307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).