3-methoxy-6-(1,2,3-trimethoxy-7,8,9,10-tetrahydrobenzo[8]annulen-4-yl)benzene-1,2-diol

C22H26O6 — CID 150125719

IUPAC3-methoxy-6-(1,2,3-trimethoxy-7,8,9,10-tetrahydrobenzo[8]annulen-4-yl)benzene-1,2-diol
SMILESCOc1ccc(-c2c3c(c(OC)c(OC)c2OC)CCCCC=C3)c(O)c1O
InChIInChI=1S/C22H26O6/c1-25-16-12-11-15(18(23)19(16)24)17-13-9-7-5-6-8-10-14(13)20(26-2)22(28-4)21(17)27-3/h7,9,11-12,23-24H,5-6,8,10H2,1-4H3
InChIKeyFAEJHDKVJUXZGV-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.54
Rot. Bonds5

About 3-methoxy-6-(1,2,3-trimethoxy-7,8,9,10-tetrahydrobenzo[8]annulen-4-yl)benzene-1,2-diol

3-methoxy-6-(1,2,3-trimethoxy-7,8,9,10-tetrahydrobenzo[8]annulen-4-yl)benzene-1,2-diol (PubChem CID 150125719) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is 3-methoxy-6-(1,2,3-trimethoxy-7,8,9,10-tetrahydrobenzo[8]annulen-4-yl)benzene-1,2-diol.

Molecular Properties

Compound Name3-methoxy-6-(1,2,3-trimethoxy-7,8,9,10-tetrahydrobenzo[8]annulen-4-yl)benzene-1,2-diol
PubChem CID150125719
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name3-methoxy-6-(1,2,3-trimethoxy-7,8,9,10-tetrahydrobenzo[8]annulen-4-yl)benzene-1,2-diol
SMILESCOc1ccc(-c2c3c(c(OC)c(OC)c2OC)CCCCC=C3)c(O)c1O
InChIInChI=1S/C22H26O6/c1-25-16-12-11-15(18(23)19(16)24)17-13-9-7-5-6-8-10-14(13)20(26-2)22(28-4)21(17)27-3/h7,9,11-12,23-24H,5-6,8,10H2,1-4H3
InChIKeyFAEJHDKVJUXZGV-UHFFFAOYSA-N
XLogP4.54
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(1,2,3-trimethoxy-7,8,9,10-tetrahydrobenzo[8]annulen-4-yl)benzene-1,2-diol?
The IUPAC name of 3-methoxy-6-(1,2,3-trimethoxy-7,8,9,10-tetrahydrobenzo[8]annulen-4-yl)benzene-1,2-diol (CID 150125719) is 3-methoxy-6-(1,2,3-trimethoxy-7,8,9,10-tetrahydrobenzo[8]annulen-4-yl)benzene-1,2-diol.
What is the SMILES notation for 3-methoxy-6-(1,2,3-trimethoxy-7,8,9,10-tetrahydrobenzo[8]annulen-4-yl)benzene-1,2-diol?
The canonical SMILES for 3-methoxy-6-(1,2,3-trimethoxy-7,8,9,10-tetrahydrobenzo[8]annulen-4-yl)benzene-1,2-diol is COc1ccc(-c2c3c(c(OC)c(OC)c2OC)CCCCC=C3)c(O)c1O.
What is the InChIKey of 3-methoxy-6-(1,2,3-trimethoxy-7,8,9,10-tetrahydrobenzo[8]annulen-4-yl)benzene-1,2-diol?
The InChIKey is FAEJHDKVJUXZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O6/c1-25-16-12-11-15(18(23)19(16)24)17-13-9-7-5-6-8-10-14(13)20(26-2)22(28-4)21(17)27-3/h7,9,11-12,23-24H,5-6,8,10H2,1-4H3.
What are the key properties of 3-methoxy-6-(1,2,3-trimethoxy-7,8,9,10-tetrahydrobenzo[8]annulen-4-yl)benzene-1,2-diol?
3-methoxy-6-(1,2,3-trimethoxy-7,8,9,10-tetrahydrobenzo[8]annulen-4-yl)benzene-1,2-diol has a molecular weight of 386.44 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(1,2,3-trimethoxy-7,8,9,10-tetrahydrobenzo[8]annulen-4-yl)benzene-1,2-diol is sourced from PubChem (CID 150125719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).