6-methoxy-1-methyl-7-propan-2-yl-3,4-dihydrophenanthrene

C19H22O — CID 14828178

IUPAC6-methoxy-1-methyl-7-propan-2-yl-3,4-dihydrophenanthrene
SMILESCOc1cc2c3c(ccc2cc1C(C)C)C(C)=CCC3
InChIInChI=1S/C19H22O/c1-12(2)17-10-14-8-9-15-13(3)6-5-7-16(15)18(14)11-19(17)20-4/h6,8-12H,5,7H2,1-4H3
InChIKeyWLKKRNAOTZEMJJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.32
Rot. Bonds2

About 6-methoxy-1-methyl-7-propan-2-yl-3,4-dihydrophenanthrene

6-methoxy-1-methyl-7-propan-2-yl-3,4-dihydrophenanthrene (PubChem CID 14828178) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 6-methoxy-1-methyl-7-propan-2-yl-3,4-dihydrophenanthrene.

Molecular Properties

Compound Name6-methoxy-1-methyl-7-propan-2-yl-3,4-dihydrophenanthrene
PubChem CID14828178
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name6-methoxy-1-methyl-7-propan-2-yl-3,4-dihydrophenanthrene
SMILESCOc1cc2c3c(ccc2cc1C(C)C)C(C)=CCC3
InChIInChI=1S/C19H22O/c1-12(2)17-10-14-8-9-15-13(3)6-5-7-16(15)18(14)11-19(17)20-4/h6,8-12H,5,7H2,1-4H3
InChIKeyWLKKRNAOTZEMJJ-UHFFFAOYSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-7-propan-2-yl-3,4-dihydrophenanthrene?
The IUPAC name of 6-methoxy-1-methyl-7-propan-2-yl-3,4-dihydrophenanthrene (CID 14828178) is 6-methoxy-1-methyl-7-propan-2-yl-3,4-dihydrophenanthrene.
What is the SMILES notation for 6-methoxy-1-methyl-7-propan-2-yl-3,4-dihydrophenanthrene?
The canonical SMILES for 6-methoxy-1-methyl-7-propan-2-yl-3,4-dihydrophenanthrene is COc1cc2c3c(ccc2cc1C(C)C)C(C)=CCC3.
What is the InChIKey of 6-methoxy-1-methyl-7-propan-2-yl-3,4-dihydrophenanthrene?
The InChIKey is WLKKRNAOTZEMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-12(2)17-10-14-8-9-15-13(3)6-5-7-16(15)18(14)11-19(17)20-4/h6,8-12H,5,7H2,1-4H3.
What are the key properties of 6-methoxy-1-methyl-7-propan-2-yl-3,4-dihydrophenanthrene?
6-methoxy-1-methyl-7-propan-2-yl-3,4-dihydrophenanthrene has a molecular weight of 266.38 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-7-propan-2-yl-3,4-dihydrophenanthrene is sourced from PubChem (CID 14828178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).