(1E,2S)-6-methoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydro-2H-naphthalen-2-ol

C21H24O5 — CID 118732755

IUPAC(1E,2S)-6-methoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydro-2H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CC[C@H](O)/C2=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H24O5/c1-23-15-6-7-16-14(12-15)5-8-18(22)17(16)9-13-10-19(24-2)21(26-4)20(11-13)25-3/h6-7,9-12,18,22H,5,8H2,1-4H3/b17-9+/t18-/m0/s1
InChIKeyZMFSGTZTXVKBCT-GONKEYIRSA-N
MW356.42 g/mol
LogP3.57
Rot. Bonds5

About (1E,2S)-6-methoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydro-2H-naphthalen-2-ol

(1E,2S)-6-methoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydro-2H-naphthalen-2-ol (PubChem CID 118732755) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is (1E,2S)-6-methoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydro-2H-naphthalen-2-ol.

Molecular Properties

Compound Name(1E,2S)-6-methoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydro-2H-naphthalen-2-ol
PubChem CID118732755
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Name(1E,2S)-6-methoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydro-2H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CC[C@H](O)/C2=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H24O5/c1-23-15-6-7-16-14(12-15)5-8-18(22)17(16)9-13-10-19(24-2)21(26-4)20(11-13)25-3/h6-7,9-12,18,22H,5,8H2,1-4H3/b17-9+/t18-/m0/s1
InChIKeyZMFSGTZTXVKBCT-GONKEYIRSA-N
XLogP3.57
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
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 (1E,2S)-6-methoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydro-2H-naphthalen-2-ol?
The IUPAC name of (1E,2S)-6-methoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydro-2H-naphthalen-2-ol (CID 118732755) is (1E,2S)-6-methoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydro-2H-naphthalen-2-ol.
What is the SMILES notation for (1E,2S)-6-methoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydro-2H-naphthalen-2-ol?
The canonical SMILES for (1E,2S)-6-methoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydro-2H-naphthalen-2-ol is COc1ccc2c(c1)CC[C@H](O)/C2=C/c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (1E,2S)-6-methoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydro-2H-naphthalen-2-ol?
The InChIKey is ZMFSGTZTXVKBCT-GONKEYIRSA-N. The full InChI is InChI=1S/C21H24O5/c1-23-15-6-7-16-14(12-15)5-8-18(22)17(16)9-13-10-19(24-2)21(26-4)20(11-13)25-3/h6-7,9-12,18,22H,5,8H2,1-4H3/b17-9+/t18-/m0/s1.
What are the key properties of (1E,2S)-6-methoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydro-2H-naphthalen-2-ol?
(1E,2S)-6-methoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydro-2H-naphthalen-2-ol has a molecular weight of 356.42 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,2S)-6-methoxy-1-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydro-2H-naphthalen-2-ol is sourced from PubChem (CID 118732755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).