10-(4-hydroxyphenyl)-3-[(Z)-2-(4-hydroxyphenyl)ethenyl]-9,10-dihydrophenanthrene-1,5,7-triol

C28H22O5 — CID 71498515

IUPAC10-(4-hydroxyphenyl)-3-[(Z)-2-(4-hydroxyphenyl)ethenyl]-9,10-dihydrophenanthrene-1,5,7-triol
SMILESOc1ccc(/C=C\c2cc(O)c3c(c2)-c2c(O)cc(O)cc2CC3c2ccc(O)cc2)cc1
InChIInChI=1S/C28H22O5/c29-20-7-3-16(4-8-20)1-2-17-11-24-27-19(13-22(31)15-26(27)33)14-23(28(24)25(32)12-17)18-5-9-21(30)10-6-18/h1-13,15,23,29-33H,14H2/b2-1-
InChIKeyDYBGHDULJVDVSO-UPHRSURJSA-N
MW438.48 g/mol
LogP5.74
Rot. Bonds3

About 10-(4-hydroxyphenyl)-3-[(Z)-2-(4-hydroxyphenyl)ethenyl]-9,10-dihydrophenanthrene-1,5,7-triol

10-(4-hydroxyphenyl)-3-[(Z)-2-(4-hydroxyphenyl)ethenyl]-9,10-dihydrophenanthrene-1,5,7-triol (PubChem CID 71498515) has the molecular formula C28H22O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is 10-(4-hydroxyphenyl)-3-[(Z)-2-(4-hydroxyphenyl)ethenyl]-9,10-dihydrophenanthrene-1,5,7-triol.

Molecular Properties

Compound Name10-(4-hydroxyphenyl)-3-[(Z)-2-(4-hydroxyphenyl)ethenyl]-9,10-dihydrophenanthrene-1,5,7-triol
PubChem CID71498515
Molecular FormulaC28H22O5
Molecular Weight438.48 g/mol
Exact Mass438.15
IUPAC Name10-(4-hydroxyphenyl)-3-[(Z)-2-(4-hydroxyphenyl)ethenyl]-9,10-dihydrophenanthrene-1,5,7-triol
SMILESOc1ccc(/C=C\c2cc(O)c3c(c2)-c2c(O)cc(O)cc2CC3c2ccc(O)cc2)cc1
InChIInChI=1S/C28H22O5/c29-20-7-3-16(4-8-20)1-2-17-11-24-27-19(13-22(31)15-26(27)33)14-23(28(24)25(32)12-17)18-5-9-21(30)10-6-18/h1-13,15,23,29-33H,14H2/b2-1-
InChIKeyDYBGHDULJVDVSO-UPHRSURJSA-N
XLogP5.74
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.48
LogP ≤ 55.74
H-Bond Donors ≤ 55
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 10-(4-hydroxyphenyl)-3-[(Z)-2-(4-hydroxyphenyl)ethenyl]-9,10-dihydrophenanthrene-1,5,7-triol?
The IUPAC name of 10-(4-hydroxyphenyl)-3-[(Z)-2-(4-hydroxyphenyl)ethenyl]-9,10-dihydrophenanthrene-1,5,7-triol (CID 71498515) is 10-(4-hydroxyphenyl)-3-[(Z)-2-(4-hydroxyphenyl)ethenyl]-9,10-dihydrophenanthrene-1,5,7-triol.
What is the SMILES notation for 10-(4-hydroxyphenyl)-3-[(Z)-2-(4-hydroxyphenyl)ethenyl]-9,10-dihydrophenanthrene-1,5,7-triol?
The canonical SMILES for 10-(4-hydroxyphenyl)-3-[(Z)-2-(4-hydroxyphenyl)ethenyl]-9,10-dihydrophenanthrene-1,5,7-triol is Oc1ccc(/C=C\c2cc(O)c3c(c2)-c2c(O)cc(O)cc2CC3c2ccc(O)cc2)cc1.
What is the InChIKey of 10-(4-hydroxyphenyl)-3-[(Z)-2-(4-hydroxyphenyl)ethenyl]-9,10-dihydrophenanthrene-1,5,7-triol?
The InChIKey is DYBGHDULJVDVSO-UPHRSURJSA-N. The full InChI is InChI=1S/C28H22O5/c29-20-7-3-16(4-8-20)1-2-17-11-24-27-19(13-22(31)15-26(27)33)14-23(28(24)25(32)12-17)18-5-9-21(30)10-6-18/h1-13,15,23,29-33H,14H2/b2-1-.
What are the key properties of 10-(4-hydroxyphenyl)-3-[(Z)-2-(4-hydroxyphenyl)ethenyl]-9,10-dihydrophenanthrene-1,5,7-triol?
10-(4-hydroxyphenyl)-3-[(Z)-2-(4-hydroxyphenyl)ethenyl]-9,10-dihydrophenanthrene-1,5,7-triol has a molecular weight of 438.48 g/mol, XLogP of 5.74, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-hydroxyphenyl)-3-[(Z)-2-(4-hydroxyphenyl)ethenyl]-9,10-dihydrophenanthrene-1,5,7-triol is sourced from PubChem (CID 71498515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).