2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene

C18H20O4 — CID 26195381

IUPAC2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene
SMILESCOc1cc2c(c(OC)c1)-c1cc(OC)c(OC)cc1CC2
InChIInChI=1S/C18H20O4/c1-19-13-7-12-6-5-11-8-15(20-2)16(21-3)10-14(11)18(12)17(9-13)22-4/h7-10H,5-6H2,1-4H3
InChIKeyIQOUQPBWTJSPDL-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.49
Rot. Bonds4

About 2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene

2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene (PubChem CID 26195381) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene.

Molecular Properties

Compound Name2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene
PubChem CID26195381
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene
SMILESCOc1cc2c(c(OC)c1)-c1cc(OC)c(OC)cc1CC2
InChIInChI=1S/C18H20O4/c1-19-13-7-12-6-5-11-8-15(20-2)16(21-3)10-14(11)18(12)17(9-13)22-4/h7-10H,5-6H2,1-4H3
InChIKeyIQOUQPBWTJSPDL-UHFFFAOYSA-N
XLogP3.49
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene?
The IUPAC name of 2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene (CID 26195381) is 2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene.
What is the SMILES notation for 2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene?
The canonical SMILES for 2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene is COc1cc2c(c(OC)c1)-c1cc(OC)c(OC)cc1CC2.
What is the InChIKey of 2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene?
The InChIKey is IQOUQPBWTJSPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-19-13-7-12-6-5-11-8-15(20-2)16(21-3)10-14(11)18(12)17(9-13)22-4/h7-10H,5-6H2,1-4H3.
What are the key properties of 2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene?
2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene has a molecular weight of 300.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene is sourced from PubChem (CID 26195381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).