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

C22H26O5 — CID 72725280

IUPAC2-methoxy-6-methyl-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol
SMILESCOc1ccc2c(c1O)CCCC(C)=C2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H26O5/c1-13-7-6-8-16-15(9-10-17(24-2)21(16)23)20(13)14-11-18(25-3)22(27-5)19(12-14)26-4/h9-12,23H,6-8H2,1-5H3
InChIKeyKZMRZXMNUUYBDH-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.58
Rot. Bonds5

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

2-methoxy-6-methyl-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol (PubChem CID 72725280) has the molecular formula C22H26O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-methoxy-6-methyl-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol.

Molecular Properties

Compound Name2-methoxy-6-methyl-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol
PubChem CID72725280
Molecular FormulaC22H26O5
Molecular Weight370.45 g/mol
Exact Mass370.18
IUPAC Name2-methoxy-6-methyl-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol
SMILESCOc1ccc2c(c1O)CCCC(C)=C2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H26O5/c1-13-7-6-8-16-15(9-10-17(24-2)21(16)23)20(13)14-11-18(25-3)22(27-5)19(12-14)26-4/h9-12,23H,6-8H2,1-5H3
InChIKeyKZMRZXMNUUYBDH-UHFFFAOYSA-N
XLogP4.58
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol?
The IUPAC name of 2-methoxy-6-methyl-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol (CID 72725280) is 2-methoxy-6-methyl-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol.
What is the SMILES notation for 2-methoxy-6-methyl-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol?
The canonical SMILES for 2-methoxy-6-methyl-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol is COc1ccc2c(c1O)CCCC(C)=C2c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-methoxy-6-methyl-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol?
The InChIKey is KZMRZXMNUUYBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O5/c1-13-7-6-8-16-15(9-10-17(24-2)21(16)23)20(13)14-11-18(25-3)22(27-5)19(12-14)26-4/h9-12,23H,6-8H2,1-5H3.
What are the key properties of 2-methoxy-6-methyl-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol?
2-methoxy-6-methyl-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol has a molecular weight of 370.45 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol is sourced from PubChem (CID 72725280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).