2,5-dimethoxy-9,10-dihydrophenanthrene-1,7-diol

C16H16O4 — CID 14104268

IUPAC2,5-dimethoxy-9,10-dihydrophenanthrene-1,7-diol
SMILESCOc1ccc2c(c1O)CCc1cc(O)cc(OC)c1-2
InChIInChI=1S/C16H16O4/c1-19-13-6-5-11-12(16(13)18)4-3-9-7-10(17)8-14(20-2)15(9)11/h5-8,17-18H,3-4H2,1-2H3
InChIKeyYSSFIGREEVEYNI-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.88
Rot. Bonds2

About 2,5-dimethoxy-9,10-dihydrophenanthrene-1,7-diol

2,5-dimethoxy-9,10-dihydrophenanthrene-1,7-diol (PubChem CID 14104268) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2,5-dimethoxy-9,10-dihydrophenanthrene-1,7-diol.

Molecular Properties

Compound Name2,5-dimethoxy-9,10-dihydrophenanthrene-1,7-diol
PubChem CID14104268
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2,5-dimethoxy-9,10-dihydrophenanthrene-1,7-diol
SMILESCOc1ccc2c(c1O)CCc1cc(O)cc(OC)c1-2
InChIInChI=1S/C16H16O4/c1-19-13-6-5-11-12(16(13)18)4-3-9-7-10(17)8-14(20-2)15(9)11/h5-8,17-18H,3-4H2,1-2H3
InChIKeyYSSFIGREEVEYNI-UHFFFAOYSA-N
XLogP2.88
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-9,10-dihydrophenanthrene-1,7-diol?
The IUPAC name of 2,5-dimethoxy-9,10-dihydrophenanthrene-1,7-diol (CID 14104268) is 2,5-dimethoxy-9,10-dihydrophenanthrene-1,7-diol.
What is the SMILES notation for 2,5-dimethoxy-9,10-dihydrophenanthrene-1,7-diol?
The canonical SMILES for 2,5-dimethoxy-9,10-dihydrophenanthrene-1,7-diol is COc1ccc2c(c1O)CCc1cc(O)cc(OC)c1-2.
What is the InChIKey of 2,5-dimethoxy-9,10-dihydrophenanthrene-1,7-diol?
The InChIKey is YSSFIGREEVEYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-13-6-5-11-12(16(13)18)4-3-9-7-10(17)8-14(20-2)15(9)11/h5-8,17-18H,3-4H2,1-2H3.
What are the key properties of 2,5-dimethoxy-9,10-dihydrophenanthrene-1,7-diol?
2,5-dimethoxy-9,10-dihydrophenanthrene-1,7-diol has a molecular weight of 272.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-9,10-dihydrophenanthrene-1,7-diol is sourced from PubChem (CID 14104268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).