21,22,23,24-tetrahydroporphyrin-5-ol

C20H16N4O — CID 90954032

IUPAC21,22,23,24-tetrahydroporphyrin-5-ol
SMILESOC1=c2ccc([nH]2)=Cc2ccc([nH]2)C=c2ccc([nH]2)=Cc2ccc1[nH]2
InChIInChI=1S/C20H16N4O/c25-20-18-7-5-16(23-18)10-14-3-1-12(21-14)9-13-2-4-15(22-13)11-17-6-8-19(20)24-17/h1-11,21-25H
InChIKeyUSOGOYPSAHNQCZ-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.51
Rot. Bonds

About 21,22,23,24-tetrahydroporphyrin-5-ol

21,22,23,24-tetrahydroporphyrin-5-ol (PubChem CID 90954032) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 21,22,23,24-tetrahydroporphyrin-5-ol.

Molecular Properties

Compound Name21,22,23,24-tetrahydroporphyrin-5-ol
PubChem CID90954032
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name21,22,23,24-tetrahydroporphyrin-5-ol
SMILESOC1=c2ccc([nH]2)=Cc2ccc([nH]2)C=c2ccc([nH]2)=Cc2ccc1[nH]2
InChIInChI=1S/C20H16N4O/c25-20-18-7-5-16(23-18)10-14-3-1-12(21-14)9-13-2-4-15(22-13)11-17-6-8-19(20)24-17/h1-11,21-25H
InChIKeyUSOGOYPSAHNQCZ-UHFFFAOYSA-N
XLogP0.51
TPSA83.39 Ų
H-Bond Donors5
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 21,22,23,24-tetrahydroporphyrin-5-ol?
The IUPAC name of 21,22,23,24-tetrahydroporphyrin-5-ol (CID 90954032) is 21,22,23,24-tetrahydroporphyrin-5-ol.
What is the SMILES notation for 21,22,23,24-tetrahydroporphyrin-5-ol?
The canonical SMILES for 21,22,23,24-tetrahydroporphyrin-5-ol is OC1=c2ccc([nH]2)=Cc2ccc([nH]2)C=c2ccc([nH]2)=Cc2ccc1[nH]2.
What is the InChIKey of 21,22,23,24-tetrahydroporphyrin-5-ol?
The InChIKey is USOGOYPSAHNQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c25-20-18-7-5-16(23-18)10-14-3-1-12(21-14)9-13-2-4-15(22-13)11-17-6-8-19(20)24-17/h1-11,21-25H.
What are the key properties of 21,22,23,24-tetrahydroporphyrin-5-ol?
21,22,23,24-tetrahydroporphyrin-5-ol has a molecular weight of 328.38 g/mol, XLogP of 0.51, 0 rotatable bonds, 5 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 21,22,23,24-tetrahydroporphyrin-5-ol is sourced from PubChem (CID 90954032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).