3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol

C18H20O5 — CID 14049974

IUPAC3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol
SMILESCOc1cc2c(cc1O)CCc1cc(OC)c(OC)c(OC)c1-2
InChIInChI=1S/C18H20O5/c1-20-14-9-12-10(7-13(14)19)5-6-11-8-15(21-2)17(22-3)18(23-4)16(11)12/h7-9,19H,5-6H2,1-4H3
InChIKeySMTIGAXALFVTMH-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.19
Rot. Bonds4

About 3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol

3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol (PubChem CID 14049974) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol.

Molecular Properties

Compound Name3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol
PubChem CID14049974
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol
SMILESCOc1cc2c(cc1O)CCc1cc(OC)c(OC)c(OC)c1-2
InChIInChI=1S/C18H20O5/c1-20-14-9-12-10(7-13(14)19)5-6-11-8-15(21-2)17(22-3)18(23-4)16(11)12/h7-9,19H,5-6H2,1-4H3
InChIKeySMTIGAXALFVTMH-UHFFFAOYSA-N
XLogP3.19
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5,7-trimethoxy-9,10-dihydrophenanthren-2-ol
CID 71437517
3-methoxy-9,10-dihydrophenanthren-2-ol
CID 14386782
(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol;hydrobromide
CID 172885215
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol
CID 24762424
(6aS)-1,2,10-trimethoxy-6-methyl-6-oxido-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-9-ol
CID 40580557
1,2,3,11-tetramethoxy-5,7-dihydrobenzo[d][2]benzoxepin-10-ol
CID 50916827
1,2,3,9,10,11-hexamethoxy-5,7-dihydrobenzo[d][2]benzothiepine
CID 86074646
methyl 2-hydroxy-6,7,8-trimethoxy-9,10-dihydrophenanthrene-3-carboxylate
CID 89464599
(8R)-5,13,14,15-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-ol
CID 24754568
7-methoxy-1-methyl-3,4-dihydroisoquinolin-6-ol
CID 605727
5,7-dimethoxy-9,10-dihydrophenanthrene-2,4,6-triol
CID 10446799

Frequently Asked Questions

What is the IUPAC name of 3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol?
The IUPAC name of 3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol (CID 14049974) is 3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol.
What is the SMILES notation for 3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol?
The canonical SMILES for 3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol is COc1cc2c(cc1O)CCc1cc(OC)c(OC)c(OC)c1-2.
What is the InChIKey of 3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol?
The InChIKey is SMTIGAXALFVTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-20-14-9-12-10(7-13(14)19)5-6-11-8-15(21-2)17(22-3)18(23-4)16(11)12/h7-9,19H,5-6H2,1-4H3.
What are the key properties of 3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol?
3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol has a molecular weight of 316.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7-tetramethoxy-9,10-dihydrophenanthren-2-ol is sourced from PubChem (CID 14049974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).