6-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-7-methoxychromen-2-one

C23H26N2O5 — CID 19927697

IUPAC6-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-7-methoxychromen-2-one
SMILESCOc1cc2oc(=O)ccc2cc1OCC(O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H26N2O5/c1-28-21-14-20-17(7-8-23(27)30-20)13-22(21)29-16-19(26)15-24-9-11-25(12-10-24)18-5-3-2-4-6-18/h2-8,13-14,19,26H,9-12,15-16H2,1H3
InChIKeyFOCFNLZTDSNEPU-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.36
Rot. Bonds7

About 6-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-7-methoxychromen-2-one

6-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-7-methoxychromen-2-one (PubChem CID 19927697) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 6-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-7-methoxychromen-2-one.

Molecular Properties

Compound Name6-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-7-methoxychromen-2-one
PubChem CID19927697
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name6-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-7-methoxychromen-2-one
SMILESCOc1cc2oc(=O)ccc2cc1OCC(O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H26N2O5/c1-28-21-14-20-17(7-8-23(27)30-20)13-22(21)29-16-19(26)15-24-9-11-25(12-10-24)18-5-3-2-4-6-18/h2-8,13-14,19,26H,9-12,15-16H2,1H3
InChIKeyFOCFNLZTDSNEPU-UHFFFAOYSA-N
XLogP2.36
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3-methoxyphenyl]ethanone
CID 991632
1-[7-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-6-methoxy-3-methyl-1-benzofuran-2-yl]ethanone
CID 14528978
1-(3,4-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2882985
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
1-[4-[2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 6493504
1-[2-[4-(4-methoxyphenyl)butyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 19423948
1-(2,4-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol dichloride
CID 21237602
1-dibenzofuran-2-yloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 3258806
(2R)-1-(2-bromophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 34066311
(2R)-1-(3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 764656
1-[2-[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]ethanone
CID 1263693

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-7-methoxychromen-2-one?
The IUPAC name of 6-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-7-methoxychromen-2-one (CID 19927697) is 6-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-7-methoxychromen-2-one.
What is the SMILES notation for 6-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-7-methoxychromen-2-one?
The canonical SMILES for 6-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-7-methoxychromen-2-one is COc1cc2oc(=O)ccc2cc1OCC(O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 6-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-7-methoxychromen-2-one?
The InChIKey is FOCFNLZTDSNEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-28-21-14-20-17(7-8-23(27)30-20)13-22(21)29-16-19(26)15-24-9-11-25(12-10-24)18-5-3-2-4-6-18/h2-8,13-14,19,26H,9-12,15-16H2,1H3.
What are the key properties of 6-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-7-methoxychromen-2-one?
6-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-7-methoxychromen-2-one has a molecular weight of 410.47 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-7-methoxychromen-2-one is sourced from PubChem (CID 19927697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).