2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol

C14H20O4 — CID 24973086

IUPAC2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
SMILESCOc1cc2c(c(OC)c1OC)CC(O)CCC2
InChIInChI=1S/C14H20O4/c1-16-12-7-9-5-4-6-10(15)8-11(9)13(17-2)14(12)18-3/h7,10,15H,4-6,8H2,1-3H3
InChIKeyQZOSYAFFRDKERR-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.95
Rot. Bonds3

About 2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol

2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol (PubChem CID 24973086) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol.

Molecular Properties

Compound Name2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
PubChem CID24973086
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
SMILESCOc1cc2c(c(OC)c1OC)CC(O)CCC2
InChIInChI=1S/C14H20O4/c1-16-12-7-9-5-4-6-10(15)8-11(9)13(17-2)14(12)18-3/h7,10,15H,4-6,8H2,1-3H3
InChIKeyQZOSYAFFRDKERR-UHFFFAOYSA-N
XLogP1.95
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol?
The IUPAC name of 2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol (CID 24973086) is 2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol.
What is the SMILES notation for 2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol?
The canonical SMILES for 2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol is COc1cc2c(c(OC)c1OC)CC(O)CCC2.
What is the InChIKey of 2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol?
The InChIKey is QZOSYAFFRDKERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-16-12-7-9-5-4-6-10(15)8-11(9)13(17-2)14(12)18-3/h7,10,15H,4-6,8H2,1-3H3.
What are the key properties of 2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol?
2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol has a molecular weight of 252.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol is sourced from PubChem (CID 24973086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).