3,5,7-trimethoxy-9,10-dihydrophenanthren-2-ol

C17H18O4 — CID 71437517

IUPAC3,5,7-trimethoxy-9,10-dihydrophenanthren-2-ol
SMILESCOc1cc2c(c(OC)c1)-c1cc(OC)c(O)cc1CC2
InChIInChI=1S/C17H18O4/c1-19-12-6-11-5-4-10-7-14(18)15(20-2)9-13(10)17(11)16(8-12)21-3/h6-9,18H,4-5H2,1-3H3
InChIKeyFJDQIWUEUCBKGI-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.18
Rot. Bonds3

About 3,5,7-trimethoxy-9,10-dihydrophenanthren-2-ol

3,5,7-trimethoxy-9,10-dihydrophenanthren-2-ol (PubChem CID 71437517) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3,5,7-trimethoxy-9,10-dihydrophenanthren-2-ol.

Molecular Properties

Compound Name3,5,7-trimethoxy-9,10-dihydrophenanthren-2-ol
PubChem CID71437517
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name3,5,7-trimethoxy-9,10-dihydrophenanthren-2-ol
SMILESCOc1cc2c(c(OC)c1)-c1cc(OC)c(O)cc1CC2
InChIInChI=1S/C17H18O4/c1-19-12-6-11-5-4-10-7-14(18)15(20-2)9-13(10)17(11)16(8-12)21-3/h6-9,18H,4-5H2,1-3H3
InChIKeyFJDQIWUEUCBKGI-UHFFFAOYSA-N
XLogP3.18
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol
CID 14049974
3-methoxy-9,10-dihydrophenanthren-2-ol
CID 14386782
7-methoxy-1-methyl-3,4-dihydroisoquinolin-6-ol
CID 605727
2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol
CID 24762424
2-methoxy-9,10-dihydrophenanthrene-4,5-diol
CID 11506999
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
2-(2,4-dimethoxyphenyl)-3,5-dimethoxyphenol
CID 165177874
1-[(7-hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
CID 162931660
8-[(5-hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol
CID 102026936
2-[4,6-bis(2-hydroxy-4,6-dimethoxyphenyl)-1,3,5-triazin-2-yl]-3,5-dimethoxyphenol
CID 136758978
6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethane;propane
CID 143278523
methyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate
CID 89464855

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethoxy-9,10-dihydrophenanthren-2-ol?
The IUPAC name of 3,5,7-trimethoxy-9,10-dihydrophenanthren-2-ol (CID 71437517) is 3,5,7-trimethoxy-9,10-dihydrophenanthren-2-ol.
What is the SMILES notation for 3,5,7-trimethoxy-9,10-dihydrophenanthren-2-ol?
The canonical SMILES for 3,5,7-trimethoxy-9,10-dihydrophenanthren-2-ol is COc1cc2c(c(OC)c1)-c1cc(OC)c(O)cc1CC2.
What is the InChIKey of 3,5,7-trimethoxy-9,10-dihydrophenanthren-2-ol?
The InChIKey is FJDQIWUEUCBKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-19-12-6-11-5-4-10-7-14(18)15(20-2)9-13(10)17(11)16(8-12)21-3/h6-9,18H,4-5H2,1-3H3.
What are the key properties of 3,5,7-trimethoxy-9,10-dihydrophenanthren-2-ol?
3,5,7-trimethoxy-9,10-dihydrophenanthren-2-ol has a molecular weight of 286.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethoxy-9,10-dihydrophenanthren-2-ol is sourced from PubChem (CID 71437517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).