5-[(1R)-1-methoxyethyl]-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol

C19H22O3 — CID 162849893

IUPAC5-[(1R)-1-methoxyethyl]-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol
SMILESCO[C@H](C)c1c(O)c(C)cc2c1-c1ccc(O)c(C)c1CC2
InChIInChI=1S/C19H22O3/c1-10-9-13-5-6-14-11(2)16(20)8-7-15(14)18(13)17(19(10)21)12(3)22-4/h7-9,12,20-21H,5-6H2,1-4H3/t12-/m1/s1
InChIKeyQJSIPUGXYKUMHM-GFCCVEGCSA-N
MW298.38 g/mol
LogP4.19
Rot. Bonds2

About 5-[(1R)-1-methoxyethyl]-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol

5-[(1R)-1-methoxyethyl]-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol (PubChem CID 162849893) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-[(1R)-1-methoxyethyl]-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol.

Molecular Properties

Compound Name5-[(1R)-1-methoxyethyl]-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol
PubChem CID162849893
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name5-[(1R)-1-methoxyethyl]-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol
SMILESCO[C@H](C)c1c(O)c(C)cc2c1-c1ccc(O)c(C)c1CC2
InChIInChI=1S/C19H22O3/c1-10-9-13-5-6-14-11(2)16(20)8-7-15(14)18(13)17(19(10)21)12(3)22-4/h7-9,12,20-21H,5-6H2,1-4H3/t12-/m1/s1
InChIKeyQJSIPUGXYKUMHM-GFCCVEGCSA-N
XLogP4.19
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-methoxyethyl]-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol?
The IUPAC name of 5-[(1R)-1-methoxyethyl]-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol (CID 162849893) is 5-[(1R)-1-methoxyethyl]-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol.
What is the SMILES notation for 5-[(1R)-1-methoxyethyl]-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol?
The canonical SMILES for 5-[(1R)-1-methoxyethyl]-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol is CO[C@H](C)c1c(O)c(C)cc2c1-c1ccc(O)c(C)c1CC2.
What is the InChIKey of 5-[(1R)-1-methoxyethyl]-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol?
The InChIKey is QJSIPUGXYKUMHM-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22O3/c1-10-9-13-5-6-14-11(2)16(20)8-7-15(14)18(13)17(19(10)21)12(3)22-4/h7-9,12,20-21H,5-6H2,1-4H3/t12-/m1/s1.
What are the key properties of 5-[(1R)-1-methoxyethyl]-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol?
5-[(1R)-1-methoxyethyl]-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol has a molecular weight of 298.38 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-methoxyethyl]-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol is sourced from PubChem (CID 162849893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).