2-ethoxy-6,7-dimethoxy-10a-methyl-9,10-dihydrophenanthren-3-one

C19H22O4 — CID 12582504

IUPAC2-ethoxy-6,7-dimethoxy-10a-methyl-9,10-dihydrophenanthren-3-one
SMILESCCOC1=CC2(C)CCc3cc(OC)c(OC)cc3C2=CC1=O
InChIInChI=1S/C19H22O4/c1-5-23-18-11-19(2)7-6-12-8-16(21-3)17(22-4)9-13(12)14(19)10-15(18)20/h8-11H,5-7H2,1-4H3
InChIKeySIBUMHCYAATCHX-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.54
Rot. Bonds4

About 2-ethoxy-6,7-dimethoxy-10a-methyl-9,10-dihydrophenanthren-3-one

2-ethoxy-6,7-dimethoxy-10a-methyl-9,10-dihydrophenanthren-3-one (PubChem CID 12582504) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-ethoxy-6,7-dimethoxy-10a-methyl-9,10-dihydrophenanthren-3-one.

Molecular Properties

Compound Name2-ethoxy-6,7-dimethoxy-10a-methyl-9,10-dihydrophenanthren-3-one
PubChem CID12582504
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name2-ethoxy-6,7-dimethoxy-10a-methyl-9,10-dihydrophenanthren-3-one
SMILESCCOC1=CC2(C)CCc3cc(OC)c(OC)cc3C2=CC1=O
InChIInChI=1S/C19H22O4/c1-5-23-18-11-19(2)7-6-12-8-16(21-3)17(22-4)9-13(12)14(19)10-15(18)20/h8-11H,5-7H2,1-4H3
InChIKeySIBUMHCYAATCHX-UHFFFAOYSA-N
XLogP3.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethoxy-6-methoxy-2,3-dihydroinden-1-one
CID 14635993
2,3-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 62934537
6-ethoxy-2-fluoro-5-methoxy-2,3-dihydroinden-1-one
CID 149158752
6-methoxy-1,1,10a-trimethyl-7-propan-2-yl-9,10-dihydro-2H-phenanthren-3-one
CID 101347570
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
6-methoxy-5-(methoxymethoxy)-2,3-dihydroinden-1-one
CID 71316138
(3aS,8bR)-6-ethoxy-7-methoxy-3a-methyl-1,2,4,8b-tetrahydrocyclopenta[a]inden-3-one
CID 102267055
1,8-diethyl-17,18-dimethoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,6,9,13,15,17,19-heptaene-4,5,11,12-tetrone
CID 122210307
(6,7-dimethoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl-dimethylazanium
CID 4518460
4-ethyl-6,7-dimethoxy-1H-naphthalen-2-one
CID 142069496
2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 146299674
5-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]-6-methoxy-2,3-dihydroinden-1-one
CID 141081169

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6,7-dimethoxy-10a-methyl-9,10-dihydrophenanthren-3-one?
The IUPAC name of 2-ethoxy-6,7-dimethoxy-10a-methyl-9,10-dihydrophenanthren-3-one (CID 12582504) is 2-ethoxy-6,7-dimethoxy-10a-methyl-9,10-dihydrophenanthren-3-one.
What is the SMILES notation for 2-ethoxy-6,7-dimethoxy-10a-methyl-9,10-dihydrophenanthren-3-one?
The canonical SMILES for 2-ethoxy-6,7-dimethoxy-10a-methyl-9,10-dihydrophenanthren-3-one is CCOC1=CC2(C)CCc3cc(OC)c(OC)cc3C2=CC1=O.
What is the InChIKey of 2-ethoxy-6,7-dimethoxy-10a-methyl-9,10-dihydrophenanthren-3-one?
The InChIKey is SIBUMHCYAATCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-5-23-18-11-19(2)7-6-12-8-16(21-3)17(22-4)9-13(12)14(19)10-15(18)20/h8-11H,5-7H2,1-4H3.
What are the key properties of 2-ethoxy-6,7-dimethoxy-10a-methyl-9,10-dihydrophenanthren-3-one?
2-ethoxy-6,7-dimethoxy-10a-methyl-9,10-dihydrophenanthren-3-one has a molecular weight of 314.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6,7-dimethoxy-10a-methyl-9,10-dihydrophenanthren-3-one is sourced from PubChem (CID 12582504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).