1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol

C31H24O6 — CID 11533293

IUPAC1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol
SMILESCOc1ccc2c(ccc3c(-c4c(O)cc(OC)c5c4ccc4cc(O)ccc45)c(O)cc(OC)c32)c1
InChIInChI=1S/C31H24O6/c1-35-19-7-11-21-17(13-19)5-9-23-29(21)27(37-3)15-25(34)31(23)30-22-8-4-16-12-18(32)6-10-20(16)28(22)26(36-2)14-24(30)33/h4-15,32-34H,1-3H3
InChIKeyRAUMZOBPMPBWRG-UHFFFAOYSA-N
MW492.53 g/mol
LogP7.11
Rot. Bonds4

About 1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol

1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol (PubChem CID 11533293) has the molecular formula C31H24O6 and a molecular weight of 492.53 g/mol. Its IUPAC name is 1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol.

Molecular Properties

Compound Name1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol
PubChem CID11533293
Molecular FormulaC31H24O6
Molecular Weight492.53 g/mol
Exact Mass492.16
IUPAC Name1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol
SMILESCOc1ccc2c(ccc3c(-c4c(O)cc(OC)c5c4ccc4cc(O)ccc45)c(O)cc(OC)c32)c1
InChIInChI=1S/C31H24O6/c1-35-19-7-11-21-17(13-19)5-9-23-29(21)27(37-3)15-25(34)31(23)30-22-8-4-16-12-18(32)6-10-20(16)28(22)26(36-2)14-24(30)33/h4-15,32-34H,1-3H3
InChIKeyRAUMZOBPMPBWRG-UHFFFAOYSA-N
XLogP7.11
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.53
LogP ≤ 57.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Cannabinol
CID 2543
4-Methoxy-9,10-Dihydrophenanthrene-2,7-Diol
CID 11390848
Glabrene
CID 480774
Lusianthridin
CID 442702
Cannabivarin
CID 622545
Longistyline C
CID 6446720
Epsilon-Viniferin
CID 5281728
2,7-Dihydroxy-4,6-dimethoxyphenanthrene
CID 44572330
6-Hydroxy-2,4,7-trimethoxyphenanthrene
CID 442694
Me-344
CID 68026984
4-(6-Hydroxy-2-naphthyl)-1,3-benzenediol
CID 16215105
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol?
The IUPAC name of 1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol (CID 11533293) is 1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol.
What is the SMILES notation for 1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol?
The canonical SMILES for 1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol is COc1ccc2c(ccc3c(-c4c(O)cc(OC)c5c4ccc4cc(O)ccc45)c(O)cc(OC)c32)c1.
What is the InChIKey of 1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol?
The InChIKey is RAUMZOBPMPBWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24O6/c1-35-19-7-11-21-17(13-19)5-9-23-29(21)27(37-3)15-25(34)31(23)30-22-8-4-16-12-18(32)6-10-20(16)28(22)26(36-2)14-24(30)33/h4-15,32-34H,1-3H3.
What are the key properties of 1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol?
1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol has a molecular weight of 492.53 g/mol, XLogP of 7.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol is sourced from PubChem (CID 11533293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).