2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene

C18H20O4 — CID 848565

IUPAC2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
SMILESCOc1cc2c(cc1OC)-c1cc(OC)c(OC)cc1CC2
InChIInChI=1S/C18H20O4/c1-19-15-7-11-5-6-12-8-16(20-2)18(22-4)10-14(12)13(11)9-17(15)21-3/h7-10H,5-6H2,1-4H3
InChIKeySCJQACPXMFUNKR-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.49
Rot. Bonds4

About 2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene

2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene (PubChem CID 848565) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene.

Molecular Properties

Compound Name2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
PubChem CID848565
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
SMILESCOc1cc2c(cc1OC)-c1cc(OC)c(OC)cc1CC2
InChIInChI=1S/C18H20O4/c1-19-15-7-11-5-6-12-8-16(20-2)18(22-4)10-14(12)13(11)9-17(15)21-3/h7-10H,5-6H2,1-4H3
InChIKeySCJQACPXMFUNKR-UHFFFAOYSA-N
XLogP3.49
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate
CID 89464855
7,8-dimethoxy-4,5-dihydrobenzo[g][2,1]benzoxazole
CID 90678325
6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene
CID 172869288
(6,7-dimethoxy-3-methoxycarbonyl-9,10-dihydrophenanthren-2-yl)oxythallium
CID 144556859
5-ethoxy-6-methoxy-2,3-dihydroinden-1-one
CID 14635993
5-(difluoromethoxy)-6-methoxy-2,3-dihydroinden-1-one
CID 69202251
6-methoxy-5-(methoxymethoxy)-2,3-dihydroinden-1-one
CID 71316138
6,7-dimethoxy-2-methyl-1-methylidene-3,4-dihydroisoquinoline
CID 11063933
3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene;N-methylethanamine
CID 143683938
2,3-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 62934537
3-methoxy-9,10-dihydrophenanthren-2-ol
CID 14386782
(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine
CID 16637178

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene?
The IUPAC name of 2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene (CID 848565) is 2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene.
What is the SMILES notation for 2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene?
The canonical SMILES for 2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene is COc1cc2c(cc1OC)-c1cc(OC)c(OC)cc1CC2.
What is the InChIKey of 2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene?
The InChIKey is SCJQACPXMFUNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-19-15-7-11-5-6-12-8-16(20-2)18(22-4)10-14(12)13(11)9-17(15)21-3/h7-10H,5-6H2,1-4H3.
What are the key properties of 2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene?
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene has a molecular weight of 300.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene is sourced from PubChem (CID 848565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).