2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol

C17H18O4 — CID 24762424

IUPAC2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol
SMILESCOc1ccc2c(c1)CCc1cc(OC)c(O)c(OC)c1-2
InChIInChI=1S/C17H18O4/c1-19-12-6-7-13-10(8-12)4-5-11-9-14(20-2)16(18)17(21-3)15(11)13/h6-9,18H,4-5H2,1-3H3
InChIKeyJVPHMEDOWQXNDP-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.18
Rot. Bonds3

About 2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol

2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol (PubChem CID 24762424) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol.

Molecular Properties

Compound Name2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol
PubChem CID24762424
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol
SMILESCOc1ccc2c(c1)CCc1cc(OC)c(O)c(OC)c1-2
InChIInChI=1S/C17H18O4/c1-19-12-6-7-13-10(8-12)4-5-11-9-14(20-2)16(18)17(21-3)15(11)13/h6-9,18H,4-5H2,1-3H3
InChIKeyJVPHMEDOWQXNDP-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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Frequently Asked Questions

What is the IUPAC name of 2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol?
The IUPAC name of 2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol (CID 24762424) is 2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol.
What is the SMILES notation for 2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol?
The canonical SMILES for 2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol is COc1ccc2c(c1)CCc1cc(OC)c(O)c(OC)c1-2.
What is the InChIKey of 2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol?
The InChIKey is JVPHMEDOWQXNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-19-12-6-7-13-10(8-12)4-5-11-9-14(20-2)16(18)17(21-3)15(11)13/h6-9,18H,4-5H2,1-3H3.
What are the key properties of 2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol?
2,4,7-trimethoxy-9,10-dihydrophenanthren-3-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 2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol is sourced from PubChem (CID 24762424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).