2,4,7-trimethoxy-9,10-dihydrophenanthrene

C17H18O3 — CID 15693459

IUPAC2,4,7-trimethoxy-9,10-dihydrophenanthrene
SMILESCOc1ccc2c(c1)CCc1cc(OC)cc(OC)c1-2
InChIInChI=1S/C17H18O3/c1-18-13-6-7-15-11(8-13)4-5-12-9-14(19-2)10-16(20-3)17(12)15/h6-10H,4-5H2,1-3H3
InChIKeyGKXBCRATDFSQOD-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.48
Rot. Bonds3

About 2,4,7-trimethoxy-9,10-dihydrophenanthrene

2,4,7-trimethoxy-9,10-dihydrophenanthrene (PubChem CID 15693459) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2,4,7-trimethoxy-9,10-dihydrophenanthrene.

Molecular Properties

Compound Name2,4,7-trimethoxy-9,10-dihydrophenanthrene
PubChem CID15693459
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2,4,7-trimethoxy-9,10-dihydrophenanthrene
SMILESCOc1ccc2c(c1)CCc1cc(OC)cc(OC)c1-2
InChIInChI=1S/C17H18O3/c1-18-13-6-7-15-11(8-13)4-5-12-9-14(19-2)10-16(20-3)17(12)15/h6-10H,4-5H2,1-3H3
InChIKeyGKXBCRATDFSQOD-UHFFFAOYSA-N
XLogP3.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,7-trimethoxy-9,10-dihydrophenanthrene?
The IUPAC name of 2,4,7-trimethoxy-9,10-dihydrophenanthrene (CID 15693459) is 2,4,7-trimethoxy-9,10-dihydrophenanthrene.
What is the SMILES notation for 2,4,7-trimethoxy-9,10-dihydrophenanthrene?
The canonical SMILES for 2,4,7-trimethoxy-9,10-dihydrophenanthrene is COc1ccc2c(c1)CCc1cc(OC)cc(OC)c1-2.
What is the InChIKey of 2,4,7-trimethoxy-9,10-dihydrophenanthrene?
The InChIKey is GKXBCRATDFSQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-18-13-6-7-15-11(8-13)4-5-12-9-14(19-2)10-16(20-3)17(12)15/h6-10H,4-5H2,1-3H3.
What are the key properties of 2,4,7-trimethoxy-9,10-dihydrophenanthrene?
2,4,7-trimethoxy-9,10-dihydrophenanthrene has a molecular weight of 270.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trimethoxy-9,10-dihydrophenanthrene is sourced from PubChem (CID 15693459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).