7-(4-hydroxyphenyl)-8-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]-5,6-dihydronaphthalen-2-ol

C28H31NO3 — CID 155532894

IUPAC7-(4-hydroxyphenyl)-8-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]-5,6-dihydronaphthalen-2-ol
SMILESCCCN(C)CCOc1ccc(C2=C(c3ccc(O)cc3)CCc3ccc(O)cc32)cc1
InChIInChI=1S/C28H31NO3/c1-3-16-29(2)17-18-32-25-13-7-22(8-14-25)28-26(20-4-10-23(30)11-5-20)15-9-21-6-12-24(31)19-27(21)28/h4-8,10-14,19,30-31H,3,9,15-18H2,1-2H3
InChIKeyJSTVRBMRIFDJDS-UHFFFAOYSA-N
MW429.56 g/mol
LogP5.72
Rot. Bonds8

About 7-(4-hydroxyphenyl)-8-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]-5,6-dihydronaphthalen-2-ol

7-(4-hydroxyphenyl)-8-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]-5,6-dihydronaphthalen-2-ol (PubChem CID 155532894) has the molecular formula C28H31NO3 and a molecular weight of 429.56 g/mol. Its IUPAC name is 7-(4-hydroxyphenyl)-8-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]-5,6-dihydronaphthalen-2-ol.

Molecular Properties

Compound Name7-(4-hydroxyphenyl)-8-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]-5,6-dihydronaphthalen-2-ol
PubChem CID155532894
Molecular FormulaC28H31NO3
Molecular Weight429.56 g/mol
Exact Mass429.23
IUPAC Name7-(4-hydroxyphenyl)-8-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]-5,6-dihydronaphthalen-2-ol
SMILESCCCN(C)CCOc1ccc(C2=C(c3ccc(O)cc3)CCc3ccc(O)cc32)cc1
InChIInChI=1S/C28H31NO3/c1-3-16-29(2)17-18-32-25-13-7-22(8-14-25)28-26(20-4-10-23(30)11-5-20)15-9-21-6-12-24(31)19-27(21)28/h4-8,10-14,19,30-31H,3,9,15-18H2,1-2H3
InChIKeyJSTVRBMRIFDJDS-UHFFFAOYSA-N
XLogP5.72
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxyphenyl)-8-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]-5,6-dihydronaphthalen-2-ol?
The IUPAC name of 7-(4-hydroxyphenyl)-8-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]-5,6-dihydronaphthalen-2-ol (CID 155532894) is 7-(4-hydroxyphenyl)-8-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]-5,6-dihydronaphthalen-2-ol.
What is the SMILES notation for 7-(4-hydroxyphenyl)-8-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]-5,6-dihydronaphthalen-2-ol?
The canonical SMILES for 7-(4-hydroxyphenyl)-8-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]-5,6-dihydronaphthalen-2-ol is CCCN(C)CCOc1ccc(C2=C(c3ccc(O)cc3)CCc3ccc(O)cc32)cc1.
What is the InChIKey of 7-(4-hydroxyphenyl)-8-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]-5,6-dihydronaphthalen-2-ol?
The InChIKey is JSTVRBMRIFDJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO3/c1-3-16-29(2)17-18-32-25-13-7-22(8-14-25)28-26(20-4-10-23(30)11-5-20)15-9-21-6-12-24(31)19-27(21)28/h4-8,10-14,19,30-31H,3,9,15-18H2,1-2H3.
What are the key properties of 7-(4-hydroxyphenyl)-8-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]-5,6-dihydronaphthalen-2-ol?
7-(4-hydroxyphenyl)-8-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]-5,6-dihydronaphthalen-2-ol has a molecular weight of 429.56 g/mol, XLogP of 5.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxyphenyl)-8-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]-5,6-dihydronaphthalen-2-ol is sourced from PubChem (CID 155532894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).