1,5-dimethoxy-6-methyl-9,10-dihydrophenanthrene-2,7-diol

C17H18O4 — CID 641760

IUPAC1,5-dimethoxy-6-methyl-9,10-dihydrophenanthrene-2,7-diol
SMILESCOc1c(O)ccc2c1CCc1cc(O)c(C)c(OC)c1-2
InChIInChI=1S/C17H18O4/c1-9-14(19)8-10-4-5-12-11(15(10)16(9)20-2)6-7-13(18)17(12)21-3/h6-8,18-19H,4-5H2,1-3H3
InChIKeyMIBIOCIGEBKGGP-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.19
Rot. Bonds2

About 1,5-dimethoxy-6-methyl-9,10-dihydrophenanthrene-2,7-diol

1,5-dimethoxy-6-methyl-9,10-dihydrophenanthrene-2,7-diol (PubChem CID 641760) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1,5-dimethoxy-6-methyl-9,10-dihydrophenanthrene-2,7-diol.

Molecular Properties

Compound Name1,5-dimethoxy-6-methyl-9,10-dihydrophenanthrene-2,7-diol
PubChem CID641760
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name1,5-dimethoxy-6-methyl-9,10-dihydrophenanthrene-2,7-diol
SMILESCOc1c(O)ccc2c1CCc1cc(O)c(C)c(OC)c1-2
InChIInChI=1S/C17H18O4/c1-9-14(19)8-10-4-5-12-11(15(10)16(9)20-2)6-7-13(18)17(12)21-3/h6-8,18-19H,4-5H2,1-3H3
InChIKeyMIBIOCIGEBKGGP-UHFFFAOYSA-N
XLogP3.19
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-6-methyl-9,10-dihydrophenanthrene-2,7-diol?
The IUPAC name of 1,5-dimethoxy-6-methyl-9,10-dihydrophenanthrene-2,7-diol (CID 641760) is 1,5-dimethoxy-6-methyl-9,10-dihydrophenanthrene-2,7-diol.
What is the SMILES notation for 1,5-dimethoxy-6-methyl-9,10-dihydrophenanthrene-2,7-diol?
The canonical SMILES for 1,5-dimethoxy-6-methyl-9,10-dihydrophenanthrene-2,7-diol is COc1c(O)ccc2c1CCc1cc(O)c(C)c(OC)c1-2.
What is the InChIKey of 1,5-dimethoxy-6-methyl-9,10-dihydrophenanthrene-2,7-diol?
The InChIKey is MIBIOCIGEBKGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-9-14(19)8-10-4-5-12-11(15(10)16(9)20-2)6-7-13(18)17(12)21-3/h6-8,18-19H,4-5H2,1-3H3.
What are the key properties of 1,5-dimethoxy-6-methyl-9,10-dihydrophenanthrene-2,7-diol?
1,5-dimethoxy-6-methyl-9,10-dihydrophenanthrene-2,7-diol has a molecular weight of 286.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-6-methyl-9,10-dihydrophenanthrene-2,7-diol is sourced from PubChem (CID 641760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).