8,9,20-trimethoxy-22,23-dihydroporphyrin-1-ol

C23H22N4O4 — CID 150093925

IUPAC8,9,20-trimethoxy-22,23-dihydroporphyrin-1-ol
SMILESCOC1=CC2=CC3=NC(O)(C=C3)C(OC)=C3C=CC(=N3)C=c3ccc([nH]3)=CC1(OC)N2
InChIInChI=1S/C23H22N4O4/c1-29-20-12-18-11-16-8-9-22(28,26-16)21(30-2)19-7-6-15(25-19)10-14-4-5-17(24-14)13-23(20,27-18)31-3/h4-13,24,27-28H,1-3H3
InChIKeyGGQZMMOXKWWNEP-UHFFFAOYSA-N
MW418.45 g/mol
LogP0.52
Rot. Bonds3

About 8,9,20-trimethoxy-22,23-dihydroporphyrin-1-ol

8,9,20-trimethoxy-22,23-dihydroporphyrin-1-ol (PubChem CID 150093925) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 8,9,20-trimethoxy-22,23-dihydroporphyrin-1-ol.

Molecular Properties

Compound Name8,9,20-trimethoxy-22,23-dihydroporphyrin-1-ol
PubChem CID150093925
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name8,9,20-trimethoxy-22,23-dihydroporphyrin-1-ol
SMILESCOC1=CC2=CC3=NC(O)(C=C3)C(OC)=C3C=CC(=N3)C=c3ccc([nH]3)=CC1(OC)N2
InChIInChI=1S/C23H22N4O4/c1-29-20-12-18-11-16-8-9-22(28,26-16)21(30-2)19-7-6-15(25-19)10-14-4-5-17(24-14)13-23(20,27-18)31-3/h4-13,24,27-28H,1-3H3
InChIKeyGGQZMMOXKWWNEP-UHFFFAOYSA-N
XLogP0.52
TPSA100.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8,9,20-trimethoxy-22,23-dihydroporphyrin-1-ol?
The IUPAC name of 8,9,20-trimethoxy-22,23-dihydroporphyrin-1-ol (CID 150093925) is 8,9,20-trimethoxy-22,23-dihydroporphyrin-1-ol.
What is the SMILES notation for 8,9,20-trimethoxy-22,23-dihydroporphyrin-1-ol?
The canonical SMILES for 8,9,20-trimethoxy-22,23-dihydroporphyrin-1-ol is COC1=CC2=CC3=NC(O)(C=C3)C(OC)=C3C=CC(=N3)C=c3ccc([nH]3)=CC1(OC)N2.
What is the InChIKey of 8,9,20-trimethoxy-22,23-dihydroporphyrin-1-ol?
The InChIKey is GGQZMMOXKWWNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-29-20-12-18-11-16-8-9-22(28,26-16)21(30-2)19-7-6-15(25-19)10-14-4-5-17(24-14)13-23(20,27-18)31-3/h4-13,24,27-28H,1-3H3.
What are the key properties of 8,9,20-trimethoxy-22,23-dihydroporphyrin-1-ol?
8,9,20-trimethoxy-22,23-dihydroporphyrin-1-ol has a molecular weight of 418.45 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,20-trimethoxy-22,23-dihydroporphyrin-1-ol is sourced from PubChem (CID 150093925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).