1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthren-2-ol

C32H26O6 — CID 11684843

IUPAC1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthren-2-ol
SMILESCOc1ccc2c(ccc3c(-c4c(O)cc(OC)c5c4ccc4cc(OC)ccc45)c(O)cc(OC)c32)c1
InChIInChI=1S/C32H26O6/c1-35-19-7-11-21-17(13-19)5-9-23-29(21)27(37-3)15-25(33)31(23)32-24-10-6-18-14-20(36-2)8-12-22(18)30(24)28(38-4)16-26(32)34/h5-16,33-34H,1-4H3
InChIKeyOYYLGWXTPCWTAJ-UHFFFAOYSA-N
MW506.55 g/mol
LogP7.41
Rot. Bonds5

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

1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthren-2-ol (PubChem CID 11684843) has the molecular formula C32H26O6 and a molecular weight of 506.55 g/mol. Its IUPAC name is 1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthren-2-ol.

Molecular Properties

Compound Name1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthren-2-ol
PubChem CID11684843
Molecular FormulaC32H26O6
Molecular Weight506.55 g/mol
Exact Mass506.17
IUPAC Name1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthren-2-ol
SMILESCOc1ccc2c(ccc3c(-c4c(O)cc(OC)c5c4ccc4cc(OC)ccc45)c(O)cc(OC)c32)c1
InChIInChI=1S/C32H26O6/c1-35-19-7-11-21-17(13-19)5-9-23-29(21)27(37-3)15-25(33)31(23)32-24-10-6-18-14-20(36-2)8-12-22(18)30(24)28(38-4)16-26(32)34/h5-16,33-34H,1-4H3
InChIKeyOYYLGWXTPCWTAJ-UHFFFAOYSA-N
XLogP7.41
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.55
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthren-2-ol?
The IUPAC name of 1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthren-2-ol (CID 11684843) is 1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthren-2-ol.
What is the SMILES notation for 1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthren-2-ol?
The canonical SMILES for 1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthren-2-ol is COc1ccc2c(ccc3c(-c4c(O)cc(OC)c5c4ccc4cc(OC)ccc45)c(O)cc(OC)c32)c1.
What is the InChIKey of 1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthren-2-ol?
The InChIKey is OYYLGWXTPCWTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O6/c1-35-19-7-11-21-17(13-19)5-9-23-29(21)27(37-3)15-25(33)31(23)32-24-10-6-18-14-20(36-2)8-12-22(18)30(24)28(38-4)16-26(32)34/h5-16,33-34H,1-4H3.
What are the key properties of 1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthren-2-ol?
1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthren-2-ol has a molecular weight of 506.55 g/mol, XLogP of 7.41, 5 rotatable bonds, 2 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)-4,7-dimethoxyphenanthren-2-ol is sourced from PubChem (CID 11684843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).