7-(4-hydroxyphenyl)-8-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6-dihydronaphthalen-2-ol

C28H29NO4 — CID 155535063

IUPAC7-(4-hydroxyphenyl)-8-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6-dihydronaphthalen-2-ol
SMILESOc1ccc(C2=C(c3ccc(OCCN4CCOCC4)cc3)c3cc(O)ccc3CC2)cc1
InChIInChI=1S/C28H29NO4/c30-23-7-1-20(2-8-23)26-12-6-21-3-9-24(31)19-27(21)28(26)22-4-10-25(11-5-22)33-18-15-29-13-16-32-17-14-29/h1-5,7-11,19,30-31H,6,12-18H2
InChIKeyDNDTVCLTHBYPLR-UHFFFAOYSA-N
MW443.54 g/mol
LogP4.71
Rot. Bonds6

About 7-(4-hydroxyphenyl)-8-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6-dihydronaphthalen-2-ol

7-(4-hydroxyphenyl)-8-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6-dihydronaphthalen-2-ol (PubChem CID 155535063) has the molecular formula C28H29NO4 and a molecular weight of 443.54 g/mol. Its IUPAC name is 7-(4-hydroxyphenyl)-8-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6-dihydronaphthalen-2-ol.

Molecular Properties

Compound Name7-(4-hydroxyphenyl)-8-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6-dihydronaphthalen-2-ol
PubChem CID155535063
Molecular FormulaC28H29NO4
Molecular Weight443.54 g/mol
Exact Mass443.21
IUPAC Name7-(4-hydroxyphenyl)-8-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6-dihydronaphthalen-2-ol
SMILESOc1ccc(C2=C(c3ccc(OCCN4CCOCC4)cc3)c3cc(O)ccc3CC2)cc1
InChIInChI=1S/C28H29NO4/c30-23-7-1-20(2-8-23)26-12-6-21-3-9-24(31)19-27(21)28(26)22-4-10-25(11-5-22)33-18-15-29-13-16-32-17-14-29/h1-5,7-11,19,30-31H,6,12-18H2
InChIKeyDNDTVCLTHBYPLR-UHFFFAOYSA-N
XLogP4.71
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-morpholin-4-ylethoxy)phenyl]-5,6-dihydronaphthalen-2-ol?
The IUPAC name of 7-(4-hydroxyphenyl)-8-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6-dihydronaphthalen-2-ol (CID 155535063) is 7-(4-hydroxyphenyl)-8-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6-dihydronaphthalen-2-ol.
What is the SMILES notation for 7-(4-hydroxyphenyl)-8-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6-dihydronaphthalen-2-ol?
The canonical SMILES for 7-(4-hydroxyphenyl)-8-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6-dihydronaphthalen-2-ol is Oc1ccc(C2=C(c3ccc(OCCN4CCOCC4)cc3)c3cc(O)ccc3CC2)cc1.
What is the InChIKey of 7-(4-hydroxyphenyl)-8-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6-dihydronaphthalen-2-ol?
The InChIKey is DNDTVCLTHBYPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO4/c30-23-7-1-20(2-8-23)26-12-6-21-3-9-24(31)19-27(21)28(26)22-4-10-25(11-5-22)33-18-15-29-13-16-32-17-14-29/h1-5,7-11,19,30-31H,6,12-18H2.
What are the key properties of 7-(4-hydroxyphenyl)-8-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6-dihydronaphthalen-2-ol?
7-(4-hydroxyphenyl)-8-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6-dihydronaphthalen-2-ol has a molecular weight of 443.54 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxyphenyl)-8-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6-dihydronaphthalen-2-ol is sourced from PubChem (CID 155535063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).