1,2,3,11-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-10-ol

C18H20O6 — CID 50916827

IUPAC1,2,3,11-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-10-ol
SMILESCOc1cc2c(c(OC)c1OC)-c1c(ccc(O)c1OC)COC2
InChIInChI=1S/C18H20O6/c1-20-13-7-11-9-24-8-10-5-6-12(19)16(21-2)14(10)15(11)18(23-4)17(13)22-3/h5-7,19H,8-9H2,1-4H3
InChIKeyIZCYTMMGXNXOHF-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.12
Rot. Bonds4

About 1,2,3,11-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-10-ol

1,2,3,11-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-10-ol (PubChem CID 50916827) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is 1,2,3,11-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-10-ol.

Molecular Properties

Compound Name1,2,3,11-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-10-ol
PubChem CID50916827
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name1,2,3,11-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-10-ol
SMILESCOc1cc2c(c(OC)c1OC)-c1c(ccc(O)c1OC)COC2
InChIInChI=1S/C18H20O6/c1-20-13-7-11-9-24-8-10-5-6-12(19)16(21-2)14(10)15(11)18(23-4)17(13)22-3/h5-7,19H,8-9H2,1-4H3
InChIKeyIZCYTMMGXNXOHF-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 1,2,3,11-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-10-ol?
The IUPAC name of 1,2,3,11-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-10-ol (CID 50916827) is 1,2,3,11-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-10-ol.
What is the SMILES notation for 1,2,3,11-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-10-ol?
The canonical SMILES for 1,2,3,11-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-10-ol is COc1cc2c(c(OC)c1OC)-c1c(ccc(O)c1OC)COC2.
What is the InChIKey of 1,2,3,11-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-10-ol?
The InChIKey is IZCYTMMGXNXOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O6/c1-20-13-7-11-9-24-8-10-5-6-12(19)16(21-2)14(10)15(11)18(23-4)17(13)22-3/h5-7,19H,8-9H2,1-4H3.
What are the key properties of 1,2,3,11-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-10-ol?
1,2,3,11-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-10-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 1,2,3,11-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-10-ol is sourced from PubChem (CID 50916827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).