1,2,3,9-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-8-ol

C18H20O6 — CID 24959800

IUPAC1,2,3,9-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-8-ol
SMILESCOc1ccc2c(c1O)COCc1cc(OC)c(OC)c(OC)c1-2
InChIInChI=1S/C18H20O6/c1-20-13-6-5-11-12(16(13)19)9-24-8-10-7-14(21-2)17(22-3)18(23-4)15(10)11/h5-7,19H,8-9H2,1-4H3
InChIKeyARCJLOFQUDDSQV-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.12
Rot. Bonds4

About 1,2,3,9-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-8-ol

1,2,3,9-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-8-ol (PubChem CID 24959800) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is 1,2,3,9-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-8-ol.

Molecular Properties

Compound Name1,2,3,9-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-8-ol
PubChem CID24959800
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name1,2,3,9-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-8-ol
SMILESCOc1ccc2c(c1O)COCc1cc(OC)c(OC)c(OC)c1-2
InChIInChI=1S/C18H20O6/c1-20-13-6-5-11-12(16(13)19)9-24-8-10-7-14(21-2)17(22-3)18(23-4)15(10)11/h5-7,19H,8-9H2,1-4H3
InChIKeyARCJLOFQUDDSQV-UHFFFAOYSA-N
XLogP3.12
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,9-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-8-ol?
The IUPAC name of 1,2,3,9-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-8-ol (CID 24959800) is 1,2,3,9-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-8-ol.
What is the SMILES notation for 1,2,3,9-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-8-ol?
The canonical SMILES for 1,2,3,9-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-8-ol is COc1ccc2c(c1O)COCc1cc(OC)c(OC)c(OC)c1-2.
What is the InChIKey of 1,2,3,9-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-8-ol?
The InChIKey is ARCJLOFQUDDSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O6/c1-20-13-6-5-11-12(16(13)19)9-24-8-10-7-14(21-2)17(22-3)18(23-4)15(10)11/h5-7,19H,8-9H2,1-4H3.
What are the key properties of 1,2,3,9-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-8-ol?
1,2,3,9-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-8-ol has a molecular weight of 332.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,9-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-8-ol is sourced from PubChem (CID 24959800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).