1,6,11-trimethoxy-8-methyl-5,12-dihydrotetracene-5,12-diol

C22H22O5 — CID 11176036

IUPAC1,6,11-trimethoxy-8-methyl-5,12-dihydrotetracene-5,12-diol
SMILESCOc1cccc2c1C(O)c1c(c(OC)c3cc(C)ccc3c1OC)C2O
InChIInChI=1S/C22H22O5/c1-11-8-9-12-14(10-11)22(27-4)17-18(21(12)26-3)20(24)16-13(19(17)23)6-5-7-15(16)25-2/h5-10,19-20,23-24H,1-4H3
InChIKeyLXTGGEBVFXXBIU-UHFFFAOYSA-N
MW366.41 g/mol
LogP3.65
Rot. Bonds3

About 1,6,11-trimethoxy-8-methyl-5,12-dihydrotetracene-5,12-diol

1,6,11-trimethoxy-8-methyl-5,12-dihydrotetracene-5,12-diol (PubChem CID 11176036) has the molecular formula C22H22O5 and a molecular weight of 366.41 g/mol. Its IUPAC name is 1,6,11-trimethoxy-8-methyl-5,12-dihydrotetracene-5,12-diol.

Molecular Properties

Compound Name1,6,11-trimethoxy-8-methyl-5,12-dihydrotetracene-5,12-diol
PubChem CID11176036
Molecular FormulaC22H22O5
Molecular Weight366.41 g/mol
Exact Mass366.15
IUPAC Name1,6,11-trimethoxy-8-methyl-5,12-dihydrotetracene-5,12-diol
SMILESCOc1cccc2c1C(O)c1c(c(OC)c3cc(C)ccc3c1OC)C2O
InChIInChI=1S/C22H22O5/c1-11-8-9-12-14(10-11)22(27-4)17-18(21(12)26-3)20(24)16-13(19(17)23)6-5-7-15(16)25-2/h5-10,19-20,23-24H,1-4H3
InChIKeyLXTGGEBVFXXBIU-UHFFFAOYSA-N
XLogP3.65
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,6,11-trimethoxy-8-methyl-5,12-dihydrotetracene-5,12-diol?
The IUPAC name of 1,6,11-trimethoxy-8-methyl-5,12-dihydrotetracene-5,12-diol (CID 11176036) is 1,6,11-trimethoxy-8-methyl-5,12-dihydrotetracene-5,12-diol.
What is the SMILES notation for 1,6,11-trimethoxy-8-methyl-5,12-dihydrotetracene-5,12-diol?
The canonical SMILES for 1,6,11-trimethoxy-8-methyl-5,12-dihydrotetracene-5,12-diol is COc1cccc2c1C(O)c1c(c(OC)c3cc(C)ccc3c1OC)C2O.
What is the InChIKey of 1,6,11-trimethoxy-8-methyl-5,12-dihydrotetracene-5,12-diol?
The InChIKey is LXTGGEBVFXXBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O5/c1-11-8-9-12-14(10-11)22(27-4)17-18(21(12)26-3)20(24)16-13(19(17)23)6-5-7-15(16)25-2/h5-10,19-20,23-24H,1-4H3.
What are the key properties of 1,6,11-trimethoxy-8-methyl-5,12-dihydrotetracene-5,12-diol?
1,6,11-trimethoxy-8-methyl-5,12-dihydrotetracene-5,12-diol has a molecular weight of 366.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,11-trimethoxy-8-methyl-5,12-dihydrotetracene-5,12-diol is sourced from PubChem (CID 11176036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).