6-(4-hydroxyphenyl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalen-2-ol

C29H32N2O2 — CID 171637557

IUPAC6-(4-hydroxyphenyl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalen-2-ol
SMILESCC(C)N1CCN(c2ccc(C3=C(c4ccc(O)cc4)CCc4cc(O)ccc43)cc2)CC1
InChIInChI=1S/C29H32N2O2/c1-20(2)30-15-17-31(18-16-30)24-8-3-22(4-9-24)29-27(21-5-10-25(32)11-6-21)13-7-23-19-26(33)12-14-28(23)29/h3-6,8-12,14,19-20,32-33H,7,13,15-18H2,1-2H3
InChIKeyFYUVZOFGNFFAFI-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.53
Rot. Bonds4

About 6-(4-hydroxyphenyl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalen-2-ol

6-(4-hydroxyphenyl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalen-2-ol (PubChem CID 171637557) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalen-2-ol.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalen-2-ol
PubChem CID171637557
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC Name6-(4-hydroxyphenyl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalen-2-ol
SMILESCC(C)N1CCN(c2ccc(C3=C(c4ccc(O)cc4)CCc4cc(O)ccc43)cc2)CC1
InChIInChI=1S/C29H32N2O2/c1-20(2)30-15-17-31(18-16-30)24-8-3-22(4-9-24)29-27(21-5-10-25(32)11-6-21)13-7-23-19-26(33)12-14-28(23)29/h3-6,8-12,14,19-20,32-33H,7,13,15-18H2,1-2H3
InChIKeyFYUVZOFGNFFAFI-UHFFFAOYSA-N
XLogP5.53
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalen-2-ol?
The IUPAC name of 6-(4-hydroxyphenyl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalen-2-ol (CID 171637557) is 6-(4-hydroxyphenyl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalen-2-ol.
What is the SMILES notation for 6-(4-hydroxyphenyl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalen-2-ol?
The canonical SMILES for 6-(4-hydroxyphenyl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalen-2-ol is CC(C)N1CCN(c2ccc(C3=C(c4ccc(O)cc4)CCc4cc(O)ccc43)cc2)CC1.
What is the InChIKey of 6-(4-hydroxyphenyl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalen-2-ol?
The InChIKey is FYUVZOFGNFFAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-20(2)30-15-17-31(18-16-30)24-8-3-22(4-9-24)29-27(21-5-10-25(32)11-6-21)13-7-23-19-26(33)12-14-28(23)29/h3-6,8-12,14,19-20,32-33H,7,13,15-18H2,1-2H3.
What are the key properties of 6-(4-hydroxyphenyl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalen-2-ol?
6-(4-hydroxyphenyl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalen-2-ol has a molecular weight of 440.59 g/mol, XLogP of 5.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalen-2-ol is sourced from PubChem (CID 171637557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).