(1R,2R,3Z)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-3-[(4-methoxyphenyl)methylidene]-1-phenyl-1,2-dihydroindene

C33H32O5 — CID 71654199

IUPAC(1R,2R,3Z)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-3-[(4-methoxyphenyl)methylidene]-1-phenyl-1,2-dihydroindene
SMILESCOc1ccc(/C=C2\c3cc(OC)cc(OC)c3[C@@H](c3ccccc3)[C@@H]2c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C33H32O5/c1-34-24-13-11-21(12-14-24)15-28-29-19-27(37-4)20-30(38-5)33(29)32(22-9-7-6-8-10-22)31(28)23-16-25(35-2)18-26(17-23)36-3/h6-20,31-32H,1-5H3/b28-15+/t31-,32+/m1/s1
InChIKeyPCEUDAZFCIFSPY-TZEFKJCZSA-N
MW508.61 g/mol
LogP7.20
Rot. Bonds8

About (1R,2R,3Z)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-3-[(4-methoxyphenyl)methylidene]-1-phenyl-1,2-dihydroindene

(1R,2R,3Z)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-3-[(4-methoxyphenyl)methylidene]-1-phenyl-1,2-dihydroindene (PubChem CID 71654199) has the molecular formula C33H32O5 and a molecular weight of 508.61 g/mol. Its IUPAC name is (1R,2R,3Z)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-3-[(4-methoxyphenyl)methylidene]-1-phenyl-1,2-dihydroindene.

Molecular Properties

Compound Name(1R,2R,3Z)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-3-[(4-methoxyphenyl)methylidene]-1-phenyl-1,2-dihydroindene
PubChem CID71654199
Molecular FormulaC33H32O5
Molecular Weight508.61 g/mol
Exact Mass508.22
IUPAC Name(1R,2R,3Z)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-3-[(4-methoxyphenyl)methylidene]-1-phenyl-1,2-dihydroindene
SMILESCOc1ccc(/C=C2\c3cc(OC)cc(OC)c3[C@@H](c3ccccc3)[C@@H]2c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C33H32O5/c1-34-24-13-11-21(12-14-24)15-28-29-19-27(37-4)20-30(38-5)33(29)32(22-9-7-6-8-10-22)31(28)23-16-25(35-2)18-26(17-23)36-3/h6-20,31-32H,1-5H3/b28-15+/t31-,32+/m1/s1
InChIKeyPCEUDAZFCIFSPY-TZEFKJCZSA-N
XLogP7.20
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.61
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,3E)-3-benzylidene-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-phenyl-1,2-dihydroindene
CID 71726563
(1S,3E)-1-(3,5-dimethoxyphenyl)-3-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienylidene]-5,7-dimethoxy-2-(4-methoxyphenyl)-1,2-dihydroindene
CID 143780148
(1R,2S)-4-bromo-2-(2-bromo-3,5-dimethoxyphenyl)-5,7-dimethoxy-1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydroindene
CID 90699178
(2R,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-phenylmethoxyphenyl)-2,3-dihydroinden-1-one
CID 127031316
(2S,3S)-3-(3,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one
CID 71028102
1,3,6,8-tetramethoxy-5,10-bis(4-methoxyphenyl)-5,10-dihydroindeno[2,1-a]indene
CID 102287735
[(2S,3R)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-phenyl-2,3-dihydro-1H-inden-1-yl]-phenylmethanol
CID 71726818
4-[1,3,6,8-tetramethoxy-10-(4-methoxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,3-a]inden-5-yl]benzaldehyde
CID 59611719
(2S,3S)-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methylsulfanyl]-2,3-dihydro-1H-indene
CID 53355287
(2R,3E)-4-bromo-2-(3,5-dimethoxyphenyl)-3-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienylidene]-5,7-dimethoxy-1-(4-methoxyphenyl)-1,2-dihydroindene
CID 143780104
(1S,2S,3S)-1-chloro-3-(3,5-dimethoxyphenyl)-4,6-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 89202386
9-bromo-4,6,12,14-tetramethoxy-10-(4-methoxyphenyl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 118516367

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3Z)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-3-[(4-methoxyphenyl)methylidene]-1-phenyl-1,2-dihydroindene?
The IUPAC name of (1R,2R,3Z)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-3-[(4-methoxyphenyl)methylidene]-1-phenyl-1,2-dihydroindene (CID 71654199) is (1R,2R,3Z)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-3-[(4-methoxyphenyl)methylidene]-1-phenyl-1,2-dihydroindene.
What is the SMILES notation for (1R,2R,3Z)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-3-[(4-methoxyphenyl)methylidene]-1-phenyl-1,2-dihydroindene?
The canonical SMILES for (1R,2R,3Z)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-3-[(4-methoxyphenyl)methylidene]-1-phenyl-1,2-dihydroindene is COc1ccc(/C=C2\c3cc(OC)cc(OC)c3[C@@H](c3ccccc3)[C@@H]2c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of (1R,2R,3Z)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-3-[(4-methoxyphenyl)methylidene]-1-phenyl-1,2-dihydroindene?
The InChIKey is PCEUDAZFCIFSPY-TZEFKJCZSA-N. The full InChI is InChI=1S/C33H32O5/c1-34-24-13-11-21(12-14-24)15-28-29-19-27(37-4)20-30(38-5)33(29)32(22-9-7-6-8-10-22)31(28)23-16-25(35-2)18-26(17-23)36-3/h6-20,31-32H,1-5H3/b28-15+/t31-,32+/m1/s1.
What are the key properties of (1R,2R,3Z)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-3-[(4-methoxyphenyl)methylidene]-1-phenyl-1,2-dihydroindene?
(1R,2R,3Z)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-3-[(4-methoxyphenyl)methylidene]-1-phenyl-1,2-dihydroindene has a molecular weight of 508.61 g/mol, XLogP of 7.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3Z)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-3-[(4-methoxyphenyl)methylidene]-1-phenyl-1,2-dihydroindene is sourced from PubChem (CID 71654199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).