2-methoxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol

C21H24O5 — CID 15986165

IUPAC2-methoxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol
SMILESCOc1ccc2c(c1O)CCCC(c1cc(OC)c(OC)c(OC)c1)=C2
InChIInChI=1S/C21H24O5/c1-23-17-9-8-14-10-13(6-5-7-16(14)20(17)22)15-11-18(24-2)21(26-4)19(12-15)25-3/h8-12,22H,5-7H2,1-4H3
InChIKeyZKXWBTPUGCOTGI-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.30
Rot. Bonds5

About 2-methoxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol

2-methoxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol (PubChem CID 15986165) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-methoxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol.

Molecular Properties

Compound Name2-methoxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol
PubChem CID15986165
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Name2-methoxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol
SMILESCOc1ccc2c(c1O)CCCC(c1cc(OC)c(OC)c(OC)c1)=C2
InChIInChI=1S/C21H24O5/c1-23-17-9-8-14-10-13(6-5-7-16(14)20(17)22)15-11-18(24-2)21(26-4)19(12-15)25-3/h8-12,22H,5-7H2,1-4H3
InChIKeyZKXWBTPUGCOTGI-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
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 2-methoxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol?
The IUPAC name of 2-methoxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol (CID 15986165) is 2-methoxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol.
What is the SMILES notation for 2-methoxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol?
The canonical SMILES for 2-methoxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol is COc1ccc2c(c1O)CCCC(c1cc(OC)c(OC)c(OC)c1)=C2.
What is the InChIKey of 2-methoxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol?
The InChIKey is ZKXWBTPUGCOTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O5/c1-23-17-9-8-14-10-13(6-5-7-16(14)20(17)22)15-11-18(24-2)21(26-4)19(12-15)25-3/h8-12,22H,5-7H2,1-4H3.
What are the key properties of 2-methoxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol?
2-methoxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol has a molecular weight of 356.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol is sourced from PubChem (CID 15986165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).